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

C22H17NO2 — CID 571158

IUPAC(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(23-25-22)17-12-6-2-7-13-17/h1-15,19,22H
InChIKeyFCGCZYILUOHFKY-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.46
Rot. Bonds4

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

(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone (PubChem CID 571158) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
PubChem CID571158
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(23-25-22)17-12-6-2-7-13-17/h1-15,19,22H
InChIKeyFCGCZYILUOHFKY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The IUPAC name of (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone (CID 571158) is (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone.
What is the SMILES notation for (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The canonical SMILES for (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone is O=C(c1ccccc1)C1ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The InChIKey is FCGCZYILUOHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(23-25-22)17-12-6-2-7-13-17/h1-15,19,22H.
What are the key properties of (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
(3,4-diphenyl-4,5-dihydro-1,2-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 (3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone is sourced from PubChem (CID 571158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).