2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C13H15ClN4O — CID 82762268

IUPAC2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(-c3ccc(Cl)cn3)no2)CCCC1N
InChIInChI=1S/C13H15ClN4O/c1-13(6-2-3-10(13)15)12-17-11(18-19-12)9-5-4-8(14)7-16-9/h4-5,7,10H,2-3,6,15H2,1H3
InChIKeyFQHFEYANXYQSMV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.55
Rot. Bonds2

About 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82762268) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82762268
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(-c3ccc(Cl)cn3)no2)CCCC1N
InChIInChI=1S/C13H15ClN4O/c1-13(6-2-3-10(13)15)12-17-11(18-19-12)9-5-4-8(14)7-16-9/h4-5,7,10H,2-3,6,15H2,1H3
InChIKeyFQHFEYANXYQSMV-UHFFFAOYSA-N
XLogP2.55
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82762268) is 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is CC1(c2nc(-c3ccc(Cl)cn3)no2)CCCC1N.
What is the InChIKey of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is FQHFEYANXYQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-13(6-2-3-10(13)15)12-17-11(18-19-12)9-5-4-8(14)7-16-9/h4-5,7,10H,2-3,6,15H2,1H3.
What are the key properties of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 278.74 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82762268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).