[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C19H19ClN4O2S — CID 131910869

IUPAC[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(NCc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-15-5-2-1-4-14(15)18-22-17(26-23-18)12-21-13-7-9-24(10-8-13)19(25)16-6-3-11-27-16/h1-6,11,13,21H,7-10,12H2
InChIKeyJFVWUZCTRVGBEX-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.85
Rot. Bonds5

About [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131910869) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID131910869
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(NCc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-15-5-2-1-4-14(15)18-22-17(26-23-18)12-21-13-7-9-24(10-8-13)19(25)16-6-3-11-27-16/h1-6,11,13,21H,7-10,12H2
InChIKeyJFVWUZCTRVGBEX-UHFFFAOYSA-N
XLogP3.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 56715058
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 122572561
2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 43816872
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 131903404
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
CID 4900558
[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 21066278
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 166274928
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 131910869) is [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(NCc2nc(-c3ccccc3Cl)no2)CC1.
What is the InChIKey of [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JFVWUZCTRVGBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-15-5-2-1-4-14(15)18-22-17(26-23-18)12-21-13-7-9-24(10-8-13)19(25)16-6-3-11-27-16/h1-6,11,13,21H,7-10,12H2.
What are the key properties of [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 402.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131910869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).