2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole

Catalog Number	ACM64691334
CAS	64691-33-4
Structure
Synonyms	2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole
IUPAC Name	[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
Molecular Weight	359.40
Molecular Formula	C23H22NOP
InChI	HRMFZCLQIYDDQE-UHFFFAOYSA-N
InChI Key	InChI=1S/C23H22NOP/c1-23(2)17-25-22(24-23)20-15-9-10-16-21(20)26(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3
Purity	97%
Isomeric SMILES	CC1(COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C

Q&A

What is the chemical structure of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

The chemical structure of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole is CC1(COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C.

What is the molecular weight of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

The molecular weight of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole is 359.4g/mol.

How many heavy atoms are present in the molecule?

There are 26 heavy atoms present in the molecule.

What is the Canonical SMILES representation of the molecule?

The Canonical SMILES representation of the molecule is CC1(COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C.

What is the IUPAC name of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

The IUPAC name of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.

How many rotatable bonds are present in the molecule?

There are 4 rotatable bonds present in the molecule.

What is the topological polar surface area of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

The topological polar surface area of the molecule is 21.6.

What is the Exact Mass of the molecule?

The Exact Mass of the molecule is 359.143901323.

What is the InChIKey of 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

The InChIKey of the molecule is HRMFZCLQIYDDQE-UHFFFAOYSA-N.

What are some alternative names for 2-(2-(Diphenylphosphino)phenyl)-4,4-dimethyl-4,5-dihydrooxazole?

Some alternative names for the molecule include 2-[2-(Diphenylphosphino)phenyl]-4,4-dimethyl-2-oxazoline, CS-0089117, E74912, and [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.