1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one

C22H29N3O3 — CID 42455514

IUPAC1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2nc(CN3CCN(C4CCCCC4)C(=O)C3)c(C)o2)cc1
InChIInChI=1S/C22H29N3O3/c1-16-20(23-22(28-16)17-8-10-19(27-2)11-9-17)14-24-12-13-25(21(26)15-24)18-6-4-3-5-7-18/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyHVILZOJMSCBEOU-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.64
Rot. Bonds5

About 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one

1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one (PubChem CID 42455514) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
PubChem CID42455514
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2nc(CN3CCN(C4CCCCC4)C(=O)C3)c(C)o2)cc1
InChIInChI=1S/C22H29N3O3/c1-16-20(23-22(28-16)17-8-10-19(27-2)11-9-17)14-24-12-13-25(21(26)15-24)18-6-4-3-5-7-18/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyHVILZOJMSCBEOU-UHFFFAOYSA-N
XLogP3.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42345695
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
2-(4-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 25449704
4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 25382288
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one (CID 42455514) is 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one is COc1ccc(-c2nc(CN3CCN(C4CCCCC4)C(=O)C3)c(C)o2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The InChIKey is HVILZOJMSCBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-20(23-22(28-16)17-8-10-19(27-2)11-9-17)14-24-12-13-25(21(26)15-24)18-6-4-3-5-7-18/h8-11,18H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 42455514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).