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

C19H13N7O2S — CID 18286349

IUPAC3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c12
InChIInChI=1S/C19H13N7O2S/c1-11-17-14(9-15(16-3-2-8-29-16)22-19(17)28-23-11)18(27)21-12-4-6-13(7-5-12)26-10-20-24-25-26/h2-10H,1H3,(H,21,27)
InChIKeyMDKMIMAWZICVJS-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.49
Rot. Bonds4

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

3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18286349) has the molecular formula C19H13N7O2S and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18286349
Molecular FormulaC19H13N7O2S
Molecular Weight403.43 g/mol
Exact Mass403.09
IUPAC Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c12
InChIInChI=1S/C19H13N7O2S/c1-11-17-14(9-15(16-3-2-8-29-16)22-19(17)28-23-11)18(27)21-12-4-6-13(7-5-12)26-10-20-24-25-26/h2-10H,1H3,(H,21,27)
InChIKeyMDKMIMAWZICVJS-UHFFFAOYSA-N
XLogP3.49
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32627168
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24656120
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 41191510
[2-(4-acetamidophenyl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680916
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-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
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
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
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
3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
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-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18286349) is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c12.
What is the InChIKey of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MDKMIMAWZICVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O2S/c1-11-17-14(9-15(16-3-2-8-29-16)22-19(17)28-23-11)18(27)21-12-4-6-13(7-5-12)26-10-20-24-25-26/h2-10H,1H3,(H,21,27).
What are the key properties of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18286349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).