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

C14H18N4O — CID 64672051

IUPAC1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESCc1cccnc1-c1noc(CC2(N)CCCC2)n1
InChIInChI=1S/C14H18N4O/c1-10-5-4-8-16-12(10)13-17-11(19-18-13)9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyUOTWULMTVKCYBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds3

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

1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 64672051) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID64672051
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESCc1cccnc1-c1noc(CC2(N)CCCC2)n1
InChIInChI=1S/C14H18N4O/c1-10-5-4-8-16-12(10)13-17-11(19-18-13)9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyUOTWULMTVKCYBD-UHFFFAOYSA-N
XLogP2.25
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 64672051) is 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is Cc1cccnc1-c1noc(CC2(N)CCCC2)n1.
What is the InChIKey of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is UOTWULMTVKCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-4-8-16-12(10)13-17-11(19-18-13)9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).