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

C18H23N3O3 — CID 70764665

IUPAC5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCc1ccccc1N1CCN(C(=O)CCc2cc(=O)[nH]o2)C(C)C1
InChIInChI=1S/C18H23N3O3/c1-13-5-3-4-6-16(13)20-9-10-21(14(2)12-20)18(23)8-7-15-11-17(22)19-24-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyDVDQKTZOIFLRLS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.95
Rot. Bonds4

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

5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one (PubChem CID 70764665) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
PubChem CID70764665
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCc1ccccc1N1CCN(C(=O)CCc2cc(=O)[nH]o2)C(C)C1
InChIInChI=1S/C18H23N3O3/c1-13-5-3-4-6-16(13)20-9-10-21(14(2)12-20)18(23)8-7-15-11-17(22)19-24-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyDVDQKTZOIFLRLS-UHFFFAOYSA-N
XLogP1.95
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70705404
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
2-[5-methyl-2-oxo-4-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 70777469
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136808440
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 70754475
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
CID 70768716

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one (CID 70764665) is 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one is Cc1ccccc1N1CCN(C(=O)CCc2cc(=O)[nH]o2)C(C)C1.
What is the InChIKey of 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The InChIKey is DVDQKTZOIFLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-5-3-4-6-16(13)20-9-10-21(14(2)12-20)18(23)8-7-15-11-17(22)19-24-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one is sourced from PubChem (CID 70764665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).