3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

C20H14FN3O2S — CID 11494628

IUPAC3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C20H14FN3O2S/c1-12-2-3-13(20-23-8-9-26-20)10-15(12)17-4-5-18(27-17)24-19(25)14-6-7-22-11-16(14)21/h2-11H,1H3,(H,24,25)
InChIKeyGROTYSUKSWXJJF-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.16
Rot. Bonds4

About 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 11494628) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
PubChem CID11494628
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C20H14FN3O2S/c1-12-2-3-13(20-23-8-9-26-20)10-15(12)17-4-5-18(27-17)24-19(25)14-6-7-22-11-16(14)21/h2-11H,1H3,(H,24,25)
InChIKeyGROTYSUKSWXJJF-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (CID 11494628) is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)s1.
What is the InChIKey of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The InChIKey is GROTYSUKSWXJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-2-3-13(20-23-8-9-26-20)10-15(12)17-4-5-18(27-17)24-19(25)14-6-7-22-11-16(14)21/h2-11H,1H3,(H,24,25).
What are the key properties of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11494628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).