3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one

C24H15NO3 — CID 14320030

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H15NO3/c26-24-19(15-18-13-7-8-14-20(18)27-24)23-25-21(16-9-3-1-4-10-16)22(28-23)17-11-5-2-6-12-17/h1-15H
InChIKeyGMBQLFUOMQSESM-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.78
Rot. Bonds3

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one

3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one (PubChem CID 14320030) has the molecular formula C24H15NO3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
PubChem CID14320030
Molecular FormulaC24H15NO3
Molecular Weight365.39 g/mol
Exact Mass365.11
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H15NO3/c26-24-19(15-18-13-7-8-14-20(18)27-24)23-25-21(16-9-3-1-4-10-16)22(28-23)17-11-5-2-6-12-17/h1-15H
InChIKeyGMBQLFUOMQSESM-UHFFFAOYSA-N
XLogP5.78
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
CID 132599596
4-deuterio-3-phenylchromen-2-one
CID 10799109
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687746
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one (CID 14320030) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one?
The InChIKey is GMBQLFUOMQSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO3/c26-24-19(15-18-13-7-8-14-20(18)27-24)23-25-21(16-9-3-1-4-10-16)22(28-23)17-11-5-2-6-12-17/h1-15H.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one?
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one is sourced from PubChem (CID 14320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).