N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H22N6O2 — CID 46992879

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)CCn1cncn1
InChIInChI=1S/C14H22N6O2/c1-4-19(14(21)5-6-20-10-15-9-16-20)8-12-17-13(22-18-12)7-11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyACDLQNIAFLDNJS-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.30
Rot. Bonds8

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46992879) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID46992879
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)CCn1cncn1
InChIInChI=1S/C14H22N6O2/c1-4-19(14(21)5-6-20-10-15-9-16-20)8-12-17-13(22-18-12)7-11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyACDLQNIAFLDNJS-UHFFFAOYSA-N
XLogP1.30
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 46992879) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is CCN(Cc1noc(CC(C)C)n1)C(=O)CCn1cncn1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ACDLQNIAFLDNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-4-19(14(21)5-6-20-10-15-9-16-20)8-12-17-13(22-18-12)7-11(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46992879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).