3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H18N4O2 — CID 71701015

IUPAC3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N1CCCC1
InChIInChI=1S/C17H18N4O2/c22-16(21-9-1-2-10-21)6-5-15-19-17(20-23-15)13-4-3-12-7-8-18-14(12)11-13/h3-4,7-8,11,18H,1-2,5-6,9-10H2
InChIKeyGEEOTMJKXZCDJH-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.77
Rot. Bonds4

About 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 71701015) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID71701015
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N1CCCC1
InChIInChI=1S/C17H18N4O2/c22-16(21-9-1-2-10-21)6-5-15-19-17(20-23-15)13-4-3-12-7-8-18-14(12)11-13/h3-4,7-8,11,18H,1-2,5-6,9-10H2
InChIKeyGEEOTMJKXZCDJH-UHFFFAOYSA-N
XLogP2.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-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

1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 71706335
N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 2992728
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
CID 71705041
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(1,4-diazepan-1-yl)propan-1-one
CID 119414725
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
1-piperidin-1-yl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3809016
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 96558035
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 71701015) is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N1CCCC1.
What is the InChIKey of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GEEOTMJKXZCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(21-9-1-2-10-21)6-5-15-19-17(20-23-15)13-4-3-12-7-8-18-14(12)11-13/h3-4,7-8,11,18H,1-2,5-6,9-10H2.
What are the key properties of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 310.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 71701015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).