[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

C16H22N4O — CID 115444540

IUPAC[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESNCC1(c2nc(Cc3ccncc3)no2)CCCCCC1
InChIInChI=1S/C16H22N4O/c17-12-16(7-3-1-2-4-8-16)15-19-14(20-21-15)11-13-5-9-18-10-6-13/h5-6,9-10H,1-4,7-8,11-12,17H2
InChIKeyZWSBWIKDBJTDRR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.61
Rot. Bonds4

About [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (PubChem CID 115444540) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
PubChem CID115444540
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESNCC1(c2nc(Cc3ccncc3)no2)CCCCCC1
InChIInChI=1S/C16H22N4O/c17-12-16(7-3-1-2-4-8-16)15-19-14(20-21-15)11-13-5-9-18-10-6-13/h5-6,9-10H,1-4,7-8,11-12,17H2
InChIKeyZWSBWIKDBJTDRR-UHFFFAOYSA-N
XLogP2.61
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436481
1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 62553229
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433724
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450888
[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433753
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61291590
ethyl 1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472575
[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446095
[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440137

Frequently Asked Questions

What is the IUPAC name of [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The IUPAC name of [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (CID 115444540) is [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The canonical SMILES for [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is NCC1(c2nc(Cc3ccncc3)no2)CCCCCC1.
What is the InChIKey of [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The InChIKey is ZWSBWIKDBJTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-12-16(7-3-1-2-4-8-16)15-19-14(20-21-15)11-13-5-9-18-10-6-13/h5-6,9-10H,1-4,7-8,11-12,17H2.
What are the key properties of [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is sourced from PubChem (CID 115444540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).