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

C20H13F2N3O2S — CID 24876398

IUPAC2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C20H13F2N3O2S/c1-11-13(9-17(28-11)16-7-8-24-27-16)12-5-6-18(23-10-12)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25,26)
InChIKeyHYTZVPMLOFDSDK-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

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

2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (PubChem CID 24876398) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
PubChem CID24876398
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C20H13F2N3O2S/c1-11-13(9-17(28-11)16-7-8-24-27-16)12-5-6-18(23-10-12)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25,26)
InChIKeyHYTZVPMLOFDSDK-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
CID 122186916
N-[5-(4-fluorophenyl)-6-thiophen-3-ylpyrazin-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 172434367
2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]-2-pyridinyl]benzamide
CID 24775809
2,6-difluoro-N-[5-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-pyridinyl]benzamide
CID 24775810
2,6-difluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24876062
3,5-difluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876147
3-fluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876148
2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24876151
3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876152
3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876397
3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876399
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 24876400

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (CID 24876398) is 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is Cc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The InChIKey is HYTZVPMLOFDSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-13(9-17(28-11)16-7-8-24-27-16)12-5-6-18(23-10-12)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25,26).
What are the key properties of 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24876398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).