1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

C15H25N3O — CID 61354135

IUPAC1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12/h12H,1-11,16H2
InChIKeyRQLDZHWDPFRKAY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds3

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

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 61354135) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID61354135
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12/h12H,1-11,16H2
InChIKeyRQLDZHWDPFRKAY-UHFFFAOYSA-N
XLogP3.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-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 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 61354135) is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is NC1(c2noc(CC3CCCC3)n2)CCCCCC1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is RQLDZHWDPFRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12/h12H,1-11,16H2.
What are the key properties of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 61354135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).