N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H15N3O2S — CID 24605416

IUPACN-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)noc3n2)s1
InChIInChI=1S/C16H15N3O2S/c1-8-3-6-13(22-8)12-7-11(15(20)17-10-4-5-10)14-9(2)19-21-16(14)18-12/h3,6-7,10H,4-5H2,1-2H3,(H,17,20)
InChIKeyGVQAUTWFDQFCCF-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.46
Rot. Bonds3

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

N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24605416) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24605416
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)noc3n2)s1
InChIInChI=1S/C16H15N3O2S/c1-8-3-6-13(22-8)12-7-11(15(20)17-10-4-5-10)14-9(2)19-21-16(14)18-12/h3,6-7,10H,4-5H2,1-2H3,(H,17,20)
InChIKeyGVQAUTWFDQFCCF-UHFFFAOYSA-N
XLogP3.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706061
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
3-methyl-6-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46687764
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 96529786
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603273
[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 47603390
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47045278

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24605416) is N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)noc3n2)s1.
What is the InChIKey of N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GVQAUTWFDQFCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-8-3-6-13(22-8)12-7-11(15(20)17-10-4-5-10)14-9(2)19-21-16(14)18-12/h3,6-7,10H,4-5H2,1-2H3,(H,17,20).
What are the key properties of N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24605416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).