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

C22H17NO2 — CID 139221412

IUPAC[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)25-22(23-19)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21-/m1/s1
InChIKeyREZRAOGOHXLZNP-TZIWHRDSSA-N
MW327.38 g/mol
LogP4.46
Rot. Bonds4

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

[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone (PubChem CID 139221412) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
PubChem CID139221412
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)25-22(23-19)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21-/m1/s1
InChIKeyREZRAOGOHXLZNP-TZIWHRDSSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)
CID 382526
(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
(2-Amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)(4-methylphenyl)methanone
CID 6456490
4-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)benzophenone
CID 70884173
1-[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone
CID 56975539
cyclobutyl-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]methanone
CID 58631101
1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone
CID 58631144
[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone
CID 67663978
(2-Fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
CID 69034844
methyl (4S,5S)-4-benzyl-5-(3-fluorophenyl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327769
4-[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one
CID 140982255

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone (CID 139221412) is [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone?
The InChIKey is REZRAOGOHXLZNP-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H17NO2/c24-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)25-22(23-19)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21-/m1/s1.
What are the key properties of [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone?
[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone has a molecular weight of 327.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 139221412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).