3,4,5-triphenyl-1,3-benzoxazol-2-one

C25H17NO2 — CID 165389236

IUPAC3,4,5-triphenyl-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C25H17NO2/c27-25-26(20-14-8-3-9-15-20)24-22(28-25)17-16-21(18-10-4-1-5-11-18)23(24)19-12-6-2-7-13-19/h1-17H
InChIKeyJEILVBOIQRQBHN-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.92
Rot. Bonds3

About 3,4,5-triphenyl-1,3-benzoxazol-2-one

3,4,5-triphenyl-1,3-benzoxazol-2-one (PubChem CID 165389236) has the molecular formula C25H17NO2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,4,5-triphenyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3,4,5-triphenyl-1,3-benzoxazol-2-one
PubChem CID165389236
Molecular FormulaC25H17NO2
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Name3,4,5-triphenyl-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C25H17NO2/c27-25-26(20-14-8-3-9-15-20)24-22(28-25)17-16-21(18-10-4-1-5-11-18)23(24)19-12-6-2-7-13-19/h1-17H
InChIKeyJEILVBOIQRQBHN-UHFFFAOYSA-N
XLogP5.92
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-benzooxazol-2-one
CID 9820887
3-[(3-Methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
CID 52941350
3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-5-(4-fluorophenyl)-1,3-benzoxazol-2-one
CID 58386774
N-benzyl-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70682773
N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70682774
N-[2-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70684860
N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 70689086
N-methyl-2-(2-oxo-4-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 70695395
N-[4-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70697417
3-(3-methoxybenzyl)-5-methylbenzo[d]oxazol-2(3H)-one
CID 52942633

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-1,3-benzoxazol-2-one?
The IUPAC name of 3,4,5-triphenyl-1,3-benzoxazol-2-one (CID 165389236) is 3,4,5-triphenyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3,4,5-triphenyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3,4,5-triphenyl-1,3-benzoxazol-2-one is O=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2n1-c1ccccc1.
What is the InChIKey of 3,4,5-triphenyl-1,3-benzoxazol-2-one?
The InChIKey is JEILVBOIQRQBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2/c27-25-26(20-14-8-3-9-15-20)24-22(28-25)17-16-21(18-10-4-1-5-11-18)23(24)19-12-6-2-7-13-19/h1-17H.
What are the key properties of 3,4,5-triphenyl-1,3-benzoxazol-2-one?
3,4,5-triphenyl-1,3-benzoxazol-2-one has a molecular weight of 363.42 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 165389236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).