(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one

C18H21N3O3 — CID 99928818

IUPAC(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
SMILESCCc1nc(C)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C18H21N3O3/c1-3-15-20-12(2)16(24-15)18(23)21-10-9-19-17(22)14(21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyDFEJKMZEYYRYRP-AWEZNQCLSA-N
MW327.38 g/mol
LogP1.73
Rot. Bonds4

About (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one

(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one (PubChem CID 99928818) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
PubChem CID99928818
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
SMILESCCc1nc(C)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C18H21N3O3/c1-3-15-20-12(2)16(24-15)18(23)21-10-9-19-17(22)14(21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyDFEJKMZEYYRYRP-AWEZNQCLSA-N
XLogP1.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
CID 45229030
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 99936115

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one (CID 99928818) is (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one is CCc1nc(C)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)o1.
What is the InChIKey of (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The InChIKey is DFEJKMZEYYRYRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-20-12(2)16(24-15)18(23)21-10-9-19-17(22)14(21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one has a molecular weight of 327.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 99928818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).