[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

C23H23N5O3 — CID 53140931

IUPAC[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1
InChIInChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyLYIAMFNEXPJPFG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.65
Rot. Bonds4

About [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 53140931) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID53140931
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1
InChIInChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyLYIAMFNEXPJPFG-UHFFFAOYSA-N
XLogP3.65
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone 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-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
(2-chloro-5-fluorophenyl)-[(3S)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094792
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
3-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]benzonitrile
CID 53121895
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
(E)-3-(4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 53121877
4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 177135037
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 53140931) is [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is COc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1.
What is the InChIKey of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is LYIAMFNEXPJPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3.
What are the key properties of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 417.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 53140931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).