N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H14FN3O2S — CID 18129377

IUPACN-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(F)c1
InChIInChI=1S/C19H14FN3O2S/c1-10-5-6-14(13(20)8-10)21-18(24)12-9-15(16-4-3-7-26-16)22-19-17(12)11(2)23-25-19/h3-9H,1-2H3,(H,21,24)
InChIKeyLDBHMVJRBSTWJB-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.96
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18129377) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18129377
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(F)c1
InChIInChI=1S/C19H14FN3O2S/c1-10-5-6-14(13(20)8-10)21-18(24)12-9-15(16-4-3-7-26-16)22-19-17(12)11(2)23-25-19/h3-9H,1-2H3,(H,21,24)
InChIKeyLDBHMVJRBSTWJB-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18129377) is N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LDBHMVJRBSTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-10-5-6-14(13(20)8-10)21-18(24)12-9-15(16-4-3-7-26-16)22-19-17(12)11(2)23-25-19/h3-9H,1-2H3,(H,21,24).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18129377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).