[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine

C9H15N3O — CID 82503873

IUPAC[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine
SMILESNCC1(Cc2ncno2)CCCC1
InChIInChI=1S/C9H15N3O/c10-6-9(3-1-2-4-9)5-8-11-7-12-13-8/h7H,1-6,10H2
InChIKeyWCZFYUZPOYNEQE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds3

About [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine

[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine (PubChem CID 82503873) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine
PubChem CID82503873
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine
SMILESNCC1(Cc2ncno2)CCCC1
InChIInChI=1S/C9H15N3O/c10-6-9(3-1-2-4-9)5-8-11-7-12-13-8/h7H,1-6,10H2
InChIKeyWCZFYUZPOYNEQE-UHFFFAOYSA-N
XLogP1.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine (CID 82503873) is [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine is NCC1(Cc2ncno2)CCCC1.
What is the InChIKey of [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine?
The InChIKey is WCZFYUZPOYNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-9(3-1-2-4-9)5-8-11-7-12-13-8/h7H,1-6,10H2.
What are the key properties of [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine?
[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 82503873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).