3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole

C18H22N4O2 — CID 126804082

IUPAC3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCOC1CCC(C)(c2nc(Cc3ccc4cn[nH]c4c3)no2)CC1
InChIInChI=1S/C18H22N4O2/c1-18(7-5-14(23-2)6-8-18)17-20-16(22-24-17)10-12-3-4-13-11-19-21-15(13)9-12/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyWPQDMPIQEJPEIG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.38
Rot. Bonds4

About 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole

3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 126804082) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID126804082
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCOC1CCC(C)(c2nc(Cc3ccc4cn[nH]c4c3)no2)CC1
InChIInChI=1S/C18H22N4O2/c1-18(7-5-14(23-2)6-8-18)17-20-16(22-24-17)10-12-3-4-13-11-19-21-15(13)9-12/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyWPQDMPIQEJPEIG-UHFFFAOYSA-N
XLogP3.38
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-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 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole (CID 126804082) is 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole is COC1CCC(C)(c2nc(Cc3ccc4cn[nH]c4c3)no2)CC1.
What is the InChIKey of 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is WPQDMPIQEJPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(7-5-14(23-2)6-8-18)17-20-16(22-24-17)10-12-3-4-13-11-19-21-15(13)9-12/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole?
3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 326.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126804082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).