2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine

C14H18N4O — CID 106483279

IUPAC2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h3-4,7-8,10-11H,1-2,5-6,9,15H2
InChIKeyZUCPRFAHMHMLQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds3

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

2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 106483279) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID106483279
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h3-4,7-8,10-11H,1-2,5-6,9,15H2
InChIKeyZUCPRFAHMHMLQX-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483527
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 80575366
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483547

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (CID 106483279) is 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZUCPRFAHMHMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h3-4,7-8,10-11H,1-2,5-6,9,15H2.
What are the key properties of 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).