6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one

C15H11FN2O3 — CID 103298323

IUPAC6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
SMILESCc1cc(N)cc(C(=O)c2ccc3[nH]c(=O)oc3c2)c1F
InChIInChI=1S/C15H11FN2O3/c1-7-4-9(17)6-10(13(7)16)14(19)8-2-3-11-12(5-8)21-15(20)18-11/h2-6H,17H2,1H3,(H,18,20)
InChIKeyWIQIPERJDDNSMP-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.38
Rot. Bonds2

About 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one

6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 103298323) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID103298323
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
SMILESCc1cc(N)cc(C(=O)c2ccc3[nH]c(=O)oc3c2)c1F
InChIInChI=1S/C15H11FN2O3/c1-7-4-9(17)6-10(13(7)16)14(19)8-2-3-11-12(5-8)21-15(20)18-11/h2-6H,17H2,1H3,(H,18,20)
InChIKeyWIQIPERJDDNSMP-UHFFFAOYSA-N
XLogP2.38
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081
6-(2,5-dimethylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161901
6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161914
6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 82875002
(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 103298336
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
CID 3059536
6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 81290552
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
6-(3,5,5-trimethylhexanoyl)-3H-1,3-benzoxazol-2-one
CID 43161895
2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 116862950
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one (CID 103298323) is 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one is Cc1cc(N)cc(C(=O)c2ccc3[nH]c(=O)oc3c2)c1F.
What is the InChIKey of 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is WIQIPERJDDNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-7-4-9(17)6-10(13(7)16)14(19)8-2-3-11-12(5-8)21-15(20)18-11/h2-6H,17H2,1H3,(H,18,20).
What are the key properties of 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one?
6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 286.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 103298323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).