2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone

C17H19ClN2O3 — CID 110313081

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H19ClN2O3/c1-17(2)11-22-8-7-20(17)16(21)10-14-9-15(23-19-14)12-3-5-13(18)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyAVGWQEXYOUSFFJ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.17
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone (PubChem CID 110313081) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
PubChem CID110313081
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H19ClN2O3/c1-17(2)11-22-8-7-20(17)16(21)10-14-9-15(23-19-14)12-3-5-13(18)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyAVGWQEXYOUSFFJ-UHFFFAOYSA-N
XLogP3.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone 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

4-{[5-(4-Chlorophenyl)-3-isoxazolyl]methyl}morpholine
CID 1481105
5-(3-Chlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252967
4-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2,6-dimethylmorpholine
CID 627025
(5-(4-Chlorophenyl)isoxazol-3-yl)(morpholino)methanone
CID 3242114
5-(3,4-Dichlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 5054584
4-{[5-(2,4-Dichlorophenyl)-3-isoxazolyl]carbonyl}morpholine
CID 1093832
5-(4-Chlorophenyl)-n-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3241430
5-(4-Chlorophenyl)isoxazol-3-yl 4-methylpiperidyl ketone
CID 15988829
N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 54577605
5-(4-Chlorophenyl)-N-(3-morpholinopropyl)isoxazole-3-carboxamide
CID 3242520
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 700021
5-(3-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
CID 3662590

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone (CID 110313081) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone is CC1(C)COCCN1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The InChIKey is AVGWQEXYOUSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-17(2)11-22-8-7-20(17)16(21)10-14-9-15(23-19-14)12-3-5-13(18)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone has a molecular weight of 334.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110313081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).