1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one

C18H21N3O3 — CID 70715796

IUPAC1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(C(=O)c3cc(C)no3)CC2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12-6-13(2)8-15(7-12)10-20-4-5-21(11-17(20)22)18(23)16-9-14(3)19-24-16/h6-9H,4-5,10-11H2,1-3H3
InChIKeySWMJKPLKIJHLJM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one

1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one (PubChem CID 70715796) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
PubChem CID70715796
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(C(=O)c3cc(C)no3)CC2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12-6-13(2)8-15(7-12)10-20-4-5-21(11-17(20)22)18(23)16-9-14(3)19-24-16/h6-9H,4-5,10-11H2,1-3H3
InChIKeySWMJKPLKIJHLJM-UHFFFAOYSA-N
XLogP2.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
1-[(3,5-dimethylphenyl)methyl]-4-(1-methylpyrazole-3-carbonyl)piperazin-2-one
CID 70788477
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
4-[(3,5-dimethylphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-oxopiperazine-1-carboxamide
CID 122563755
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156864966
1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one
CID 70752874
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 125438861
4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one (CID 70715796) is 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one is Cc1cc(C)cc(CN2CCN(C(=O)c3cc(C)no3)CC2=O)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The InChIKey is SWMJKPLKIJHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-6-13(2)8-15(7-12)10-20-4-5-21(11-17(20)22)18(23)16-9-14(3)19-24-16/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70715796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).