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

C15H20N4O — CID 114324958

IUPAC[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(C3CCCCCC3)no2)ccn1
InChIInChI=1S/C15H20N4O/c16-10-13-9-12(7-8-17-13)15-18-14(19-20-15)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2
InChIKeyHJKMGJXICOMRTM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds3

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

[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine (PubChem CID 114324958) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
PubChem CID114324958
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(C3CCCCCC3)no2)ccn1
InChIInChI=1S/C15H20N4O/c16-10-13-9-12(7-8-17-13)15-18-14(19-20-15)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2
InChIKeyHJKMGJXICOMRTM-UHFFFAOYSA-N
XLogP3.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine with MolForge

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Related Compounds

5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
CID 143066868
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 80619993
2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
CID 82830646
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242

Frequently Asked Questions

What is the IUPAC name of [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine (CID 114324958) is [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc(C3CCCCCC3)no2)ccn1.
What is the InChIKey of [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The InChIKey is HJKMGJXICOMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-13-9-12(7-8-17-13)15-18-14(19-20-15)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2.
What are the key properties of [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).