N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine

C15H18N6O — CID 75498281

IUPACN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccc(-n3cncn3)c(C)c2)o1
InChIInChI=1S/C15H18N6O/c1-3-4-14-19-20-15(22-14)17-8-12-5-6-13(11(2)7-12)21-10-16-9-18-21/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20)
InChIKeyXSMFWJVADXWUIR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.52
Rot. Bonds6

About N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75498281) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75498281
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccc(-n3cncn3)c(C)c2)o1
InChIInChI=1S/C15H18N6O/c1-3-4-14-19-20-15(22-14)17-8-12-5-6-13(11(2)7-12)21-10-16-9-18-21/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20)
InChIKeyXSMFWJVADXWUIR-UHFFFAOYSA-N
XLogP2.52
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine 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-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75498281) is N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2ccc(-n3cncn3)c(C)c2)o1.
What is the InChIKey of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XSMFWJVADXWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-4-14-19-20-15(22-14)17-8-12-5-6-13(11(2)7-12)21-10-16-9-18-21/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20).
What are the key properties of N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).