2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide

C21H16FN3O2S — CID 24876400

IUPAC2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1
InChIInChI=1S/C21H16FN3O2S/c1-12-4-3-5-16(22)20(12)21(26)25-19-7-6-14(11-23-19)15-10-18(28-13(15)2)17-8-9-24-27-17/h3-11H,1-2H3,(H,23,25,26)
InChIKeyIRBQNAUMMUUTTE-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.47
Rot. Bonds4

About 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide

2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (PubChem CID 24876400) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
PubChem CID24876400
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1
InChIInChI=1S/C21H16FN3O2S/c1-12-4-3-5-16(22)20(12)21(26)25-19-7-6-14(11-23-19)15-10-18(28-13(15)2)17-8-9-24-27-17/h3-11H,1-2H3,(H,23,25,26)
InChIKeyIRBQNAUMMUUTTE-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide with MolForge

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Related Compounds

3-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridazine-4-carboxamide
CID 59014080
5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]pyridine-2-carboxamide
CID 69286242
N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide
CID 45279917
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 25177362
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442
2,6-difluoro-N-[5-(7-methyl-4-oxo-2,3-dihydrochromen-6-yl)-2-pyridinyl]benzamide
CID 58486710
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617243

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (CID 24876400) is 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is Cc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1.
What is the InChIKey of 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The InChIKey is IRBQNAUMMUUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-12-4-3-5-16(22)20(12)21(26)25-19-7-6-14(11-23-19)15-10-18(28-13(15)2)17-8-9-24-27-17/h3-11H,1-2H3,(H,23,25,26).
What are the key properties of 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24876400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).