5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C15H23N5O2 — CID 56890949

IUPAC5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(CCC3CCCCC3)nn2)n1
InChIInChI=1S/C15H23N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyWSZCRMNWFQFXKP-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.49
Rot. Bonds7

About 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 56890949) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID56890949
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(CCC3CCCCC3)nn2)n1
InChIInChI=1S/C15H23N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyWSZCRMNWFQFXKP-UHFFFAOYSA-N
XLogP2.49
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 56890949) is 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(-c2cn(CCC3CCCCC3)nn2)n1.
What is the InChIKey of 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is WSZCRMNWFQFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56890949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).