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

C21H18N4O3S — CID 32627168

IUPACN-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c12
InChIInChI=1S/C21H18N4O3S/c1-12-18-15(11-16(17-8-5-9-29-17)23-20(18)28-24-12)19(26)22-14-7-4-6-13(10-14)21(27)25(2)3/h4-11H,1-3H3,(H,22,26)
InChIKeyFGSMXGHLHPDEMP-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.21
Rot. Bonds4

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

N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32627168) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32627168
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c12
InChIInChI=1S/C21H18N4O3S/c1-12-18-15(11-16(17-8-5-9-29-17)23-20(18)28-24-12)19(26)22-14-7-4-6-13(10-14)21(27)25(2)3/h4-11H,1-3H3,(H,22,26)
InChIKeyFGSMXGHLHPDEMP-UHFFFAOYSA-N
XLogP4.21
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24656120
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18286349
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
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
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24668528
methyl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18276172
[2-(4-acetamidophenyl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680916
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
propan-2-yl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19591090

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 32627168) is N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c12.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FGSMXGHLHPDEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-12-18-15(11-16(17-8-5-9-29-17)23-20(18)28-24-12)19(26)22-14-7-4-6-13(10-14)21(27)25(2)3/h4-11H,1-3H3,(H,22,26).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32627168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).