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

C20H13F2N3O2S — CID 25177283

IUPAC2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide
SMILESCc1sc(-c2cnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H13F2N3O2S/c1-11-13(7-18(28-11)17-9-23-10-27-17)16-6-5-12(8-24-16)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,25,26)
InChIKeyGNOAZZZMRLCMJY-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

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

2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide (PubChem CID 25177283) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide
PubChem CID25177283
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide
SMILESCc1sc(-c2cnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H13F2N3O2S/c1-11-13(7-18(28-11)17-9-23-10-27-17)16-6-5-12(8-24-16)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,25,26)
InChIKeyGNOAZZZMRLCMJY-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

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

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Related Compounds

5-Pyridin-2-yl-thiophene-2-carboxylic acid (3-methoxy-4-oxazol-5-yl-phenyl)-amide
CID 22058536
2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376
(5S)-5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222959
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216728
2-[4-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 155538119
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 43813446
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 11494628
4-(4-Fluorophenyl)-2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1,3-oxazole
CID 17852493
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 24764558
2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
CID 24775533
2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775807

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide (CID 25177283) is 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide is Cc1sc(-c2cnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide?
The InChIKey is GNOAZZZMRLCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-13(7-18(28-11)17-9-23-10-27-17)16-6-5-12(8-24-16)25-20(26)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide?
2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-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-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 25177283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).