5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide

C13H12N6O2 — CID 169404691

IUPAC5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCCc1nnc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)o1
InChIInChI=1S/C13H12N6O2/c1-2-9-15-18-13(21-9)8-5-3-7(4-6-8)10-11(12(14)20)17-19-16-10/h3-6H,2H2,1H3,(H2,14,20)(H,16,17,19)
InChIKeyDVCQEKMHDGJSPO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.18
Rot. Bonds4

About 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide

5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404691) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404691
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCCc1nnc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)o1
InChIInChI=1S/C13H12N6O2/c1-2-9-15-18-13(21-9)8-5-3-7(4-6-8)10-11(12(14)20)17-19-16-10/h3-6H,2H2,1H3,(H2,14,20)(H,16,17,19)
InChIKeyDVCQEKMHDGJSPO-UHFFFAOYSA-N
XLogP1.18
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
CID 25284248
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169402181
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82132778
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
CID 169403975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide (CID 169404691) is 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide is CCc1nnc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)o1.
What is the InChIKey of 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is DVCQEKMHDGJSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-2-9-15-18-13(21-9)8-5-3-7(4-6-8)10-11(12(14)20)17-19-16-10/h3-6H,2H2,1H3,(H2,14,20)(H,16,17,19).
What are the key properties of 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide?
5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).