4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

C13H19N3OS — CID 79216671

IUPAC4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(CSC3CCCC3)no2)C1
InChIInChI=1S/C13H19N3OS/c14-10-6-5-9(7-10)13-15-12(16-17-13)8-18-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2
InChIKeySZXXNJHRBLWENJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.62
Rot. Bonds4

About 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79216671) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79216671
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(CSC3CCCC3)no2)C1
InChIInChI=1S/C13H19N3OS/c14-10-6-5-9(7-10)13-15-12(16-17-13)8-18-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2
InChIKeySZXXNJHRBLWENJ-UHFFFAOYSA-N
XLogP2.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine with MolForge

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Related Compounds

4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79215857
5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 79316568
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
4-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216806
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 65144329
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798500
3-(cyclohexylsulfanylmethyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467038
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216157

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79216671) is 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is NC1C=CC(c2nc(CSC3CCCC3)no2)C1.
What is the InChIKey of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is SZXXNJHRBLWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-10-6-5-9(7-10)13-15-12(16-17-13)8-18-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2.
What are the key properties of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).