N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C13H11N5O2 — CID 78928016

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-14-13(17-16-8)15-12(19)10-7-11(20-18-10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeyBHCFRELQHVIGKP-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.02
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 78928016) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID78928016
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-14-13(17-16-8)15-12(19)10-7-11(20-18-10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeyBHCFRELQHVIGKP-UHFFFAOYSA-N
XLogP2.02
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole-3-carboxamide
CID 78927797
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 83097894
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989111
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122303389

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 78928016) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BHCFRELQHVIGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-14-13(17-16-8)15-12(19)10-7-11(20-18-10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,16,17,19).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78928016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).