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

C13H11N5O3 — CID 83097894

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C13H11N5O3/c1-20-13-15-12(16-17-13)14-11(19)9-7-10(21-18-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeySDLIAKQJJFFXEQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.72
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 83097894) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID83097894
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C13H11N5O3/c1-20-13-15-12(16-17-13)14-11(19)9-7-10(21-18-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeySDLIAKQJJFFXEQ-UHFFFAOYSA-N
XLogP1.72
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
CID 83093416
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55445915
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 83097894) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide is COc1n[nH]c(NC(=O)c2cc(-c3ccccc3)on2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SDLIAKQJJFFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-20-13-15-12(16-17-13)14-11(19)9-7-10(21-18-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16,17,19).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83097894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).