1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

C14H21N3O3 — CID 39910548

IUPAC1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C14H21N3O3/c1-10-13(11(2)20-15-10)4-5-14(19)17-8-6-16(7-9-17)12(3)18/h4-9H2,1-3H3
InChIKeyOJLWAIIRALQKRZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.91
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 39910548) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID39910548
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C14H21N3O3/c1-10-13(11(2)20-15-10)4-5-14(19)17-8-6-16(7-9-17)12(3)18/h4-9H2,1-3H3
InChIKeyOJLWAIIRALQKRZ-UHFFFAOYSA-N
XLogP0.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 39910126
N-[[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 45813391
2-[4-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 48172569
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 51073428
1-(4-Acetyl-1,4-diazepan-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 53502515
3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 53560517
3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 56781881
4-[3-(3,5-Dimethyl-4-isoxazolyl)propanoyl]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]morpholine
CID 56900023
(3R*,4R*)-1-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]-3,4-dimethylpyrrolidin-3-ol
CID 70754765
2-(3,5-Diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71856772
1-[4-(Cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 71972636
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-3-carboxamide
CID 71973780

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (CID 39910548) is 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is CC(=O)N1CCN(C(=O)CCc2c(C)noc2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is OJLWAIIRALQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-13(11(2)20-15-10)4-5-14(19)17-8-6-16(7-9-17)12(3)18/h4-9H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 39910548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).