4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one

C17H21ClN4O2 — CID 126788043

IUPAC4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
SMILESCCCCc1nc(CN2CCNC(=O)C2c2ccccc2Cl)no1
InChIInChI=1S/C17H21ClN4O2/c1-2-3-8-15-20-14(21-24-15)11-22-10-9-19-17(23)16(22)12-6-4-5-7-13(12)18/h4-7,16H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyGEQPSQDUGMXVCT-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.74
Rot. Bonds6

About 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one

4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one (PubChem CID 126788043) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
PubChem CID126788043
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
SMILESCCCCc1nc(CN2CCNC(=O)C2c2ccccc2Cl)no1
InChIInChI=1S/C17H21ClN4O2/c1-2-3-8-15-20-14(21-24-15)11-22-10-9-19-17(23)16(22)12-6-4-5-7-13(12)18/h4-7,16H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyGEQPSQDUGMXVCT-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 126795033
(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 94498475
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
CID 75506316
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757437
(3S)-3-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethylpiperazin-2-one
CID 29089016
3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 136524266
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56819980
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 97236214
2-[5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120757428
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 126779291

Frequently Asked Questions

What is the IUPAC name of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one (CID 126788043) is 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one is CCCCc1nc(CN2CCNC(=O)C2c2ccccc2Cl)no1.
What is the InChIKey of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one?
The InChIKey is GEQPSQDUGMXVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-2-3-8-15-20-14(21-24-15)11-22-10-9-19-17(23)16(22)12-6-4-5-7-13(12)18/h4-7,16H,2-3,8-11H2,1H3,(H,19,23).
What are the key properties of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one?
4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one has a molecular weight of 348.83 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 126788043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).