N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C17H14N6O3 — CID 155917449

IUPACN-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2ccnc3nc(NC(=O)c4cc(C)on4)nn23)cc1
InChIInChI=1S/C17H14N6O3/c1-10-9-13(22-26-10)15(24)19-16-20-17-18-8-7-14(23(17)21-16)11-3-5-12(25-2)6-4-11/h3-9H,1-2H3,(H,19,21,24)
InChIKeySSKBGQPEGMJOMR-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.35
Rot. Bonds4

About N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155917449) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID155917449
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC NameN-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2ccnc3nc(NC(=O)c4cc(C)on4)nn23)cc1
InChIInChI=1S/C17H14N6O3/c1-10-9-13(22-26-10)15(24)19-16-20-17-18-8-7-14(23(17)21-16)11-3-5-12(25-2)6-4-11/h3-9H,1-2H3,(H,19,21,24)
InChIKeySSKBGQPEGMJOMR-UHFFFAOYSA-N
XLogP2.35
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
CID 155917099
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531
1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(6-methylheptan-2-yl)urea
CID 71148256
(E)-3-(4-methoxyphenyl)-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
CID 1387022
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1246159
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403
4-oxo-4-[(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid
CID 707944
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethylbenzamide
CID 108729041
1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
CID 157015226

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155917449) is N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2ccnc3nc(NC(=O)c4cc(C)on4)nn23)cc1.
What is the InChIKey of N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SSKBGQPEGMJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-10-9-13(22-26-10)15(24)19-16-20-17-18-8-7-14(23(17)21-16)11-3-5-12(25-2)6-4-11/h3-9H,1-2H3,(H,19,21,24).
What are the key properties of N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155917449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).