1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone

C15H11FN2O2 — CID 94979203

IUPAC1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
SMILESCC(=O)c1cc(N)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C15H11FN2O2/c1-8(19)11-6-9(17)7-13-14(11)20-15(18-13)10-4-2-3-5-12(10)16/h2-7H,17H2,1H3
InChIKeyYSDSTMOAUACVIH-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.42
Rot. Bonds2

About 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone

1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone (PubChem CID 94979203) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
PubChem CID94979203
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
SMILESCC(=O)c1cc(N)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C15H11FN2O2/c1-8(19)11-6-9(17)7-13-14(11)20-15(18-13)10-4-2-3-5-12(10)16/h2-7H,17H2,1H3
InChIKeyYSDSTMOAUACVIH-UHFFFAOYSA-N
XLogP3.42
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-2-(3-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
CID 94979202
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
CID 82233118
2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676679
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
5-amino-2-(3-bromophenyl)-1,3-benzoxazole-7-carboxamide
CID 95911730
2-(2-chloro-4,5-difluorophenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91675007
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81479408

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone?
The IUPAC name of 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone (CID 94979203) is 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone?
The canonical SMILES for 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone is CC(=O)c1cc(N)cc2nc(-c3ccccc3F)oc12.
What is the InChIKey of 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone?
The InChIKey is YSDSTMOAUACVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8(19)11-6-9(17)7-13-14(11)20-15(18-13)10-4-2-3-5-12(10)16/h2-7H,17H2,1H3.
What are the key properties of 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone?
1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone has a molecular weight of 270.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone is sourced from PubChem (CID 94979203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).