3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C12H8N2O3S — CID 9317168

IUPAC3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)O)c12
InChIInChI=1S/C12H8N2O3S/c1-6-10-7(12(15)16)5-8(9-3-2-4-18-9)13-11(10)17-14-6/h2-5H,1H3,(H,15,16)
InChIKeyQCHINKJFVLQVEW-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.96
Rot. Bonds2

About 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 9317168) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID9317168
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)O)c12
InChIInChI=1S/C12H8N2O3S/c1-6-10-7(12(15)16)5-8(9-3-2-4-18-9)13-11(10)17-14-6/h2-5H,1H3,(H,15,16)
InChIKeyQCHINKJFVLQVEW-UHFFFAOYSA-N
XLogP2.96
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24592479
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24596980
3-[(3E)-hexa-1,3,5-trien-3-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 118528210
3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32627168
N-ethyl-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19590838
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24600018
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 9317168) is 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is Cc1noc2nc(-c3cccs3)cc(C(=O)O)c12.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QCHINKJFVLQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c1-6-10-7(12(15)16)5-8(9-3-2-4-18-9)13-11(10)17-14-6/h2-5H,1H3,(H,15,16).
What are the key properties of 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 9317168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).