4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

C24H26ClN3O2 — CID 72661039

IUPAC4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C24H26ClN3O2/c1-16(2)12-22-24(29)26-21(17-6-4-3-5-7-17)15-28(22)14-20-13-23(30-27-20)18-8-10-19(25)11-9-18/h3-11,13,16,21-22H,12,14-15H2,1-2H3,(H,26,29)
InChIKeyXZYXIDCQLOGPMX-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.08
Rot. Bonds6

About 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (PubChem CID 72661039) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
PubChem CID72661039
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C24H26ClN3O2/c1-16(2)12-22-24(29)26-21(17-6-4-3-5-7-17)15-28(22)14-20-13-23(30-27-20)18-8-10-19(25)11-9-18/h3-11,13,16,21-22H,12,14-15H2,1-2H3,(H,26,29)
InChIKeyXZYXIDCQLOGPMX-UHFFFAOYSA-N
XLogP5.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 72661510
4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456618
4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456582
1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
CID 22394375
4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456608
(2S,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10933359
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10966388
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
4-[5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456701
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655523
4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 67226198
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (CID 72661039) is 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is CC(C)CC1C(=O)NC(c2ccccc2)CN1Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The InChIKey is XZYXIDCQLOGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16(2)12-22-24(29)26-21(17-6-4-3-5-7-17)15-28(22)14-20-13-23(30-27-20)18-8-10-19(25)11-9-18/h3-11,13,16,21-22H,12,14-15H2,1-2H3,(H,26,29).
What are the key properties of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one has a molecular weight of 423.94 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is sourced from PubChem (CID 72661039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).