5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C14H17N3O — CID 667308

IUPAC5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CC3CCCCC3)n2)ccn1
InChIInChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12/h6-9,11H,1-5,10H2
InChIKeyKDCMKVDAFILOHK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.25
Rot. Bonds3

About 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 667308) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID667308
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CC3CCCCC3)n2)ccn1
InChIInChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12/h6-9,11H,1-5,10H2
InChIKeyKDCMKVDAFILOHK-UHFFFAOYSA-N
XLogP3.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 119947623
5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
CID 165054074
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 125137803
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
N-cyclohexyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51308184
5-(cycloheptylmethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 115679991

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 667308) is 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(CC3CCCCC3)n2)ccn1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is KDCMKVDAFILOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12/h6-9,11H,1-5,10H2.
What are the key properties of 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 667308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).