1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C13H16N4O — CID 63839712

IUPAC1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccnc(-c2noc(C3(N)CCCC3)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-4-7-15-10(8-9)11-16-12(18-17-11)13(14)5-2-3-6-13/h4,7-8H,2-3,5-6,14H2,1H3
InChIKeyIGZKMIDBXNRSEP-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.17
Rot. Bonds2

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

1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63839712) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63839712
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccnc(-c2noc(C3(N)CCCC3)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-4-7-15-10(8-9)11-16-12(18-17-11)13(14)5-2-3-6-13/h4,7-8H,2-3,5-6,14H2,1H3
InChIKeyIGZKMIDBXNRSEP-UHFFFAOYSA-N
XLogP2.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63839712) is 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cc1ccnc(-c2noc(C3(N)CCCC3)n2)c1.
What is the InChIKey of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is IGZKMIDBXNRSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-7-15-10(8-9)11-16-12(18-17-11)13(14)5-2-3-6-13/h4,7-8H,2-3,5-6,14H2,1H3.
What are the key properties of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 244.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 63839712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).