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

C12H12FN3O2 — CID 62649569

IUPAC3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H12FN3O2/c1-7-6-10(16-18-7)15-12(17)8-4-3-5-9(13)11(8)14-2/h3-6,14H,1-2H3,(H,15,16,17)
InChIKeyXTWGEZALYWKUFO-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.42
Rot. Bonds3

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

3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 62649569) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID62649569
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H12FN3O2/c1-7-6-10(16-18-7)15-12(17)8-4-3-5-9(13)11(8)14-2/h3-6,14H,1-2H3,(H,15,16,17)
InChIKeyXTWGEZALYWKUFO-UHFFFAOYSA-N
XLogP2.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylbenzamide
CID 110429071
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914408

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 62649569) is 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CNc1c(F)cccc1C(=O)Nc1cc(C)on1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XTWGEZALYWKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-6-10(16-18-7)15-12(17)8-4-3-5-9(13)11(8)14-2/h3-6,14H,1-2H3,(H,15,16,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).