3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one

C22H23N3O3 — CID 45229030

IUPAC3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
SMILESCC(C)c1nc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)ccc2o1
InChIInChI=1S/C22H23N3O3/c1-14(2)21-24-17-13-16(8-9-19(17)28-21)22(27)25-11-10-23-20(26)18(25)12-15-6-4-3-5-7-15/h3-9,13-14,18H,10-12H2,1-2H3,(H,23,26)
InChIKeyXJOCUWKPVQCZJC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.13
Rot. Bonds4

About 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one

3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one (PubChem CID 45229030) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
PubChem CID45229030
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
SMILESCC(C)c1nc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)ccc2o1
InChIInChI=1S/C22H23N3O3/c1-14(2)21-24-17-13-16(8-9-19(17)28-21)22(27)25-11-10-23-20(26)18(25)12-15-6-4-3-5-7-15/h3-9,13-14,18H,10-12H2,1-2H3,(H,23,26)
InChIKeyXJOCUWKPVQCZJC-UHFFFAOYSA-N
XLogP3.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
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CID 29084883
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
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(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 25296398
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
4-[4-(2-methoxyethoxy)benzoyl]-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110250535
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one (CID 45229030) is 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one is CC(C)c1nc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)ccc2o1.
What is the InChIKey of 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one?
The InChIKey is XJOCUWKPVQCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(2)21-24-17-13-16(8-9-19(17)28-21)22(27)25-11-10-23-20(26)18(25)12-15-6-4-3-5-7-15/h3-9,13-14,18H,10-12H2,1-2H3,(H,23,26).
What are the key properties of 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one?
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 45229030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).