1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone

C15H11NO2 — CID 947570

IUPAC1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
SMILESCC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C15H11NO2/c1-10(17)12-7-8-14-13(9-12)15(18-16-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVQFCWDRAGUGXCP-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.70
Rot. Bonds2

About 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone

1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone (PubChem CID 947570) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
PubChem CID947570
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
SMILESCC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C15H11NO2/c1-10(17)12-7-8-14-13(9-12)15(18-16-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVQFCWDRAGUGXCP-UHFFFAOYSA-N
XLogP3.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
2,1-Benzisoxazole, 5-chloro-3-phenyl-
CID 347291
3-Phenyl-benzo[c]isoxazole-5-carboxylic acid
CID 644438
3-Phenyl-2,1-benzoxazole-5-carbaldehyde
CID 738010
3-(3,5-Dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 168294215
(2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
CID 2517760
5-(2-Methyl-1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
CID 649710
2-(7-Methyl-1,2-benzoxazol-3-yl)acetic acid
CID 1235415
1-[3-(4-Methylphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 3569182
1-[3-(3-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 3754737
3-(4-Methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
3-Acetyl-6H-anthra[1,9-cd]isoxazol-6-one
CID 685423

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone?
The IUPAC name of 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone (CID 947570) is 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone is CC(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone?
The InChIKey is VQFCWDRAGUGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10(17)12-7-8-14-13(9-12)15(18-16-14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone?
1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone has a molecular weight of 237.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone is sourced from PubChem (CID 947570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).