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

C22H19N3O2S — CID 19591048

IUPAC3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)NC3CCCc4ccccc43)c12
InChIInChI=1S/C22H19N3O2S/c1-13-20-16(12-18(19-10-5-11-28-19)24-22(20)27-25-13)21(26)23-17-9-4-7-14-6-2-3-8-15(14)17/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3,(H,23,26)
InChIKeyNTCFVILSZVYAKQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.07
Rot. Bonds3

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

3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19591048) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19591048
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)NC3CCCc4ccccc43)c12
InChIInChI=1S/C22H19N3O2S/c1-13-20-16(12-18(19-10-5-11-28-19)24-22(20)27-25-13)21(26)23-17-9-4-7-14-6-2-3-8-15(14)17/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3,(H,23,26)
InChIKeyNTCFVILSZVYAKQ-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854841
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853209
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 155945166
N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46808856
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020840
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19591048) is 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccs3)cc(C(=O)NC3CCCc4ccccc43)c12.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NTCFVILSZVYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-20-16(12-18(19-10-5-11-28-19)24-22(20)27-25-13)21(26)23-17-9-4-7-14-6-2-3-8-15(14)17/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3,(H,23,26).
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19591048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).