6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one

C15H11FN2O3 — CID 110662109

IUPAC6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one
SMILESNc1ccc2c(c1)oc(=O)n2C(=O)Cc1ccccc1F
InChIInChI=1S/C15H11FN2O3/c16-11-4-2-1-3-9(11)7-14(19)18-12-6-5-10(17)8-13(12)21-15(18)20/h1-6,8H,7,17H2
InChIKeyFSUGXFDRGMUECN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.20
Rot. Bonds2

About 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one

6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one (PubChem CID 110662109) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one
PubChem CID110662109
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one
SMILESNc1ccc2c(c1)oc(=O)n2C(=O)Cc1ccccc1F
InChIInChI=1S/C15H11FN2O3/c16-11-4-2-1-3-9(11)7-14(19)18-12-6-5-10(17)8-13(12)21-15(18)20/h1-6,8H,7,17H2
InChIKeyFSUGXFDRGMUECN-UHFFFAOYSA-N
XLogP2.20
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-[2-(aminomethyl)pyridine-4-carbonyl]-1,3-benzoxazol-2-one
CID 112522920
6-amino-3-[2-methyl-3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 110838408
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112523008
6-amino-3-(1-methylindole-4-carbonyl)-1,3-benzoxazol-2-one
CID 112523032
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 119754874
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
CID 63933212
5-(6-amino-2-oxo-1,3-benzoxazol-3-yl)pentanenitrile
CID 54965994
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
2-[(6-amino-2-oxo-1,3-benzoxazol-3-yl)methyl]-4-fluorobenzonitrile
CID 107905067

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one (CID 110662109) is 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one is Nc1ccc2c(c1)oc(=O)n2C(=O)Cc1ccccc1F.
What is the InChIKey of 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one?
The InChIKey is FSUGXFDRGMUECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-4-2-1-3-9(11)7-14(19)18-12-6-5-10(17)8-13(12)21-15(18)20/h1-6,8H,7,17H2.
What are the key properties of 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one?
6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one has a molecular weight of 286.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110662109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).