3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C13H12N6O2 — CID 30865201

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O2/c20-10(16-13-14-8-15-19-13)6-7-11-17-18-12(21-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,19,20)
InChIKeyQTWMGJWGEXHGKO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.43
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30865201) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30865201
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O2/c20-10(16-13-14-8-15-19-13)6-7-11-17-18-12(21-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,19,20)
InChIKeyQTWMGJWGEXHGKO-UHFFFAOYSA-N
XLogP1.43
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide 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

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(3-hydroxy-2-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30162184
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30865201) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1ncn[nH]1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is QTWMGJWGEXHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c20-10(16-13-14-8-15-19-13)6-7-11-17-18-12(21-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,19,20).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 284.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30865201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).