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

C22H17NO2 — CID 122377517

IUPAC[(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)23-22(25-21)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21+/m0/s1
InChIKeyXSPCUHMLTNVZLW-PZJWPPBQSA-N
MW327.38 g/mol
LogP4.46
Rot. Bonds4

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

[(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone (PubChem CID 122377517) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
PubChem CID122377517
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name[(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)23-22(25-21)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21+/m0/s1
InChIKeyXSPCUHMLTNVZLW-PZJWPPBQSA-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

[(2R,3S)-2-[(4S,5R)-2-benzoyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 56670185
[(2E)-2-[2-(3-fluorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]-2-iodoethyl] 3-fluorobenzoate
CID 154711852
methyl (4R,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylate
CID 53739358
5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one
CID 271845
2-(2,6-Difluorophenyl)-4-(4-formylphenyl)oxazoline
CID 12056636
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-Fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
CID 69034844
4-[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one
CID 140982255
[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate
CID 10664939
[(4R,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 102026711

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone?
The IUPAC name of [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone (CID 122377517) is [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone.
What is the SMILES notation for [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone?
The canonical SMILES for [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1.
What is the InChIKey of [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone?
The InChIKey is XSPCUHMLTNVZLW-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H17NO2/c24-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)23-22(25-21)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21+/m0/s1.
What are the key properties of [(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone?
[(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-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)-2,4-diphenyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone is sourced from PubChem (CID 122377517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).