3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C23H23N3O3 — CID 45268094

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1OC1CCCC1
InChIInChI=1S/C23H23N3O3/c1-27-20-11-10-15(12-21(20)28-17-6-2-3-7-17)23-25-22(29-26-23)13-16-14-24-19-9-5-4-8-18(16)19/h4-5,8-12,14,17,24H,2-3,6-7,13H2,1H3
InChIKeyTWAXXSYSPWCYQI-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.14
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 45268094) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID45268094
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1OC1CCCC1
InChIInChI=1S/C23H23N3O3/c1-27-20-11-10-15(12-21(20)28-17-6-2-3-7-17)23-25-22(29-26-23)13-16-14-24-19-9-5-4-8-18(16)19/h4-5,8-12,14,17,24H,2-3,6-7,13H2,1H3
InChIKeyTWAXXSYSPWCYQI-UHFFFAOYSA-N
XLogP5.14
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-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-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 45268094) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is TWAXXSYSPWCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-27-20-11-10-15(12-21(20)28-17-6-2-3-7-17)23-25-22(29-26-23)13-16-14-24-19-9-5-4-8-18(16)19/h4-5,8-12,14,17,24H,2-3,6-7,13H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 389.46 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 45268094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).