5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 91647117

IUPAC5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cccc1CNc1nnc(CC2CCCC2)o1
InChIInChI=1S/C14H20N4O/c1-18-8-4-7-12(18)10-15-14-17-16-13(19-14)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17)
InChIKeyRAFAADONQKSPAS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.75
Rot. Bonds5

About 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91647117) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID91647117
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1cccc1CNc1nnc(CC2CCCC2)o1
InChIInChI=1S/C14H20N4O/c1-18-8-4-7-12(18)10-15-14-17-16-13(19-14)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17)
InChIKeyRAFAADONQKSPAS-UHFFFAOYSA-N
XLogP2.75
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-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 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 91647117) is 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cn1cccc1CNc1nnc(CC2CCCC2)o1.
What is the InChIKey of 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RAFAADONQKSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-8-4-7-12(18)10-15-14-17-16-13(19-14)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17).
What are the key properties of 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91647117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).