5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole

C14H23N3O2 — CID 116742701

IUPAC5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(CC3CNC3)n2)CCCC(C)C1
InChIInChI=1S/C14H23N3O2/c1-10-4-3-5-14(7-10,18-2)13-16-12(19-17-13)6-11-8-15-9-11/h10-11,15H,3-9H2,1-2H3
InChIKeyRIKSVVFHQGMQGR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds4

About 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole

5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 116742701) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID116742701
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(CC3CNC3)n2)CCCC(C)C1
InChIInChI=1S/C14H23N3O2/c1-10-4-3-5-14(7-10,18-2)13-16-12(19-17-13)6-11-8-15-9-11/h10-11,15H,3-9H2,1-2H3
InChIKeyRIKSVVFHQGMQGR-UHFFFAOYSA-N
XLogP1.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116781385
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790
5-(azetidin-3-ylmethyl)-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 116742954
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116741349
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
(3R,5R)-5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912574
2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 116743116

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole (CID 116742701) is 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole is COC1(c2noc(CC3CNC3)n2)CCCC(C)C1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is RIKSVVFHQGMQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-3-5-14(7-10,18-2)13-16-12(19-17-13)6-11-8-15-9-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole?
5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116742701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).