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

C16H20N4O — CID 128791883

IUPAC5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CN(C4CCCCC4)C3)n2)ccn1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)20-10-13(11-20)16-18-15(19-21-16)12-6-8-17-9-7-12/h6-9,13-14H,1-5,10-11H2
InChIKeyHRNZSLCRYNHAEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds3

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

5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 128791883) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID128791883
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CN(C4CCCCC4)C3)n2)ccn1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)20-10-13(11-20)16-18-15(19-21-16)12-6-8-17-9-7-12/h6-9,13-14H,1-5,10-11H2
InChIKeyHRNZSLCRYNHAEL-UHFFFAOYSA-N
XLogP2.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 136548166
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
CID 143066864
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 138052702
5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
CID 167947473
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
2-methoxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 72938728

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 128791883) is 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CN(C4CCCCC4)C3)n2)ccn1.
What is the InChIKey of 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is HRNZSLCRYNHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)20-10-13(11-20)16-18-15(19-21-16)12-6-8-17-9-7-12/h6-9,13-14H,1-5,10-11H2.
What are the key properties of 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 128791883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).