1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one

C20H21NO2 — CID 23270957

IUPAC1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)19(22)18-16(14-10-6-4-7-11-14)17(21-23-18)15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-,18-/m1/s1
InChIKeyVRROSQQYIXWZSV-SJLPKXTDSA-N
MW307.39 g/mol
LogP4.19
Rot. Bonds3

About 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one

1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 23270957) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID23270957
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)19(22)18-16(14-10-6-4-7-11-14)17(21-23-18)15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-,18-/m1/s1
InChIKeyVRROSQQYIXWZSV-SJLPKXTDSA-N
XLogP4.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[(4S)-3-methyl-5-phenyl-4,5-dihydroisoxazol-4-yl]ethanone; 1-[(5R)-3-methyl-4-phenyl-4,5-dihydroisoxazol-5-yl]ethanone
CID 16075528
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-one
CID 12708131
3,4-Diphenyl-2-isoxazoline-5-carboxylic acid
CID 129668265
1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone
CID 141014350
5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole
CID 17879138
1-Propanone, 1-(4,5-dihydro-3-phenyl-5-isoxazolyl)-
CID 11593653
5-Benzoyl-3-methyl-4-phenyl-4,5-dihydroisoxazole-2-oxide
CID 13483972
(4S)-4-benzyl-4-(3-oxobutyl)-3-phenyl-1,2-oxazol-5-one
CID 101906540
3,4-Diphenyl-4-(prop-1',2'-dien-1-yl)isoxazolin-5-one
CID 102228131
methyl 3-methyl-4,5-diphenyl-4H-pyrazole-4-carboxylate
CID 134811648
(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one
CID 134951334
(4S)-4-benzyl-4-(3-oxopentyl)-3-phenyl-1,2-oxazol-5-one
CID 134951336

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one (CID 23270957) is 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VRROSQQYIXWZSV-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)19(22)18-16(14-10-6-4-7-11-14)17(21-23-18)15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-,18-/m1/s1.
What are the key properties of 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one?
1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 307.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23270957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).