(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one

C19H22ClN3O3 — CID 96575129

IUPAC(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ncoc1C
InChIInChI=1S/C19H22ClN3O3/c1-3-4-7-16-10-22(15-8-5-6-14(20)9-15)17(24)11-23(16)19(25)18-13(2)26-12-21-18/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOGZQSKNSJUKXOY-MRXNPFEDSA-N
MW375.86 g/mol
LogP3.68
Rot. Bonds5

About (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one

(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one (PubChem CID 96575129) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
PubChem CID96575129
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ncoc1C
InChIInChI=1S/C19H22ClN3O3/c1-3-4-7-16-10-22(15-8-5-6-14(20)9-15)17(24)11-23(16)19(25)18-13(2)26-12-21-18/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOGZQSKNSJUKXOY-MRXNPFEDSA-N
XLogP3.68
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one with MolForge

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Related Compounds

5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
CID 70782872
(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582094
5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70786611
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
1-[(2S)-2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 96574461
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-ethylsulfonylethyl)-5-oxopiperazine-1-carboxylate
CID 67588985
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
CID 126451438
tert-butyl 4-(3-chlorophenyl)-5-oxo-2-(sulfanylmethyl)piperazine-1-carboxylate
CID 57007246

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The IUPAC name of (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one (CID 96575129) is (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one is CCCC[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ncoc1C.
What is the InChIKey of (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The InChIKey is OGZQSKNSJUKXOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-4-7-16-10-22(15-8-5-6-14(20)9-15)17(24)11-23(16)19(25)18-13(2)26-12-21-18/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one has a molecular weight of 375.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 96575129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).