3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one

C19H23N3O3 — CID 162644334

IUPAC3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-8-17-16(10-15)14(11-20-17)6-9-18-21-22(19(23)25-18)12-13-4-2-3-5-13/h7-8,10-11,13,20H,2-6,9,12H2,1H3
InChIKeyWYHAXZNIVSDTLE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.30
Rot. Bonds6

About 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one

3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 162644334) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID162644334
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-8-17-16(10-15)14(11-20-17)6-9-18-21-22(19(23)25-18)12-13-4-2-3-5-13/h7-8,10-11,13,20H,2-6,9,12H2,1H3
InChIKeyWYHAXZNIVSDTLE-UHFFFAOYSA-N
XLogP3.30
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

Melatonin
CID 896
5-Methoxytryptamine
CID 1833
Tegaserod
CID 135409453
O-Methylbufotenine
CID 1832
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
Tegaserod Maleate
CID 135413539
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxytryptophan
CID 151018
2-Iodomelatonin
CID 115348
5-Methoxytryptophol
CID 12835
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one (CID 162644334) is 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one is COc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1.
What is the InChIKey of 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is WYHAXZNIVSDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-7-8-17-16(10-15)14(11-20-17)6-9-18-21-22(19(23)25-18)12-13-4-2-3-5-13/h7-8,10-11,13,20H,2-6,9,12H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one?
3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162644334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).