2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C11H10FN3O2 — CID 62648700

IUPAC2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2N)on1
InChIInChI=1S/C11H10FN3O2/c1-6-5-9(17-15-6)14-11(16)7-3-2-4-8(12)10(7)13/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNSJVYKCITNQATJ-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 62648700) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID62648700
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2N)on1
InChIInChI=1S/C11H10FN3O2/c1-6-5-9(17-15-6)14-11(16)7-3-2-4-8(12)10(7)13/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNSJVYKCITNQATJ-UHFFFAOYSA-N
XLogP1.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.96
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

5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 62648700) is 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2cccc(F)c2N)on1.
What is the InChIKey of 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is NSJVYKCITNQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-5-9(17-15-6)14-11(16)7-3-2-4-8(12)10(7)13/h2-5H,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 235.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 62648700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).