2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone

C14H18ClNO3 — CID 110740805

IUPAC2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1OCC(C)(C)N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10-16(14(2,3)9-19-10)13(17)8-18-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKeyPJKXHMWSQANONK-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.70
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone

2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 110740805) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID110740805
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1OCC(C)(C)N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10-16(14(2,3)9-19-10)13(17)8-18-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKeyPJKXHMWSQANONK-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-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

2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
CID 110368917
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874384
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740545
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone (CID 110740805) is 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone is CC1OCC(C)(C)N1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is PJKXHMWSQANONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-16(14(2,3)9-19-10)13(17)8-18-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone?
2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 283.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110740805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).