(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone

C22H17NO2 — CID 570132

IUPAC(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-25-22(19)18-14-8-3-9-15-18/h1-15,19,22H
InChIKeyVHPSYLOUPJPDHX-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.66
Rot. Bonds4

About (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone

(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone (PubChem CID 570132) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
PubChem CID570132
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-25-22(19)18-14-8-3-9-15-18/h1-15,19,22H
InChIKeyVHPSYLOUPJPDHX-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Fluorophenyl)-2-[5-(4-fluorophenyl)-4,5-dihydro-3-isoxazolyl]-ethanone
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(3S)-1-[3-(2-fluoro-4-methylphenyl)-5-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-(4H-pyrazol-3-yl)butan-1-one
CID 58095940

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The IUPAC name of (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone (CID 570132) is (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone.
What is the SMILES notation for (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The canonical SMILES for (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone is O=C(c1ccccc1)C1C(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The InChIKey is VHPSYLOUPJPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-25-22(19)18-14-8-3-9-15-18/h1-15,19,22H.
What are the key properties of (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
(3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone has a molecular weight of 327.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone is sourced from PubChem (CID 570132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).