2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone

C20H25ClN2O3 — CID 110610280

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)C1
InChIInChI=1S/C20H25ClN2O3/c1-3-25-13-15-5-4-10-23(12-15)19(24)11-18-14(2)26-20(22-18)16-6-8-17(21)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyWOFYDURUSVNMSO-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.12
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 110610280) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
PubChem CID110610280
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)C1
InChIInChI=1S/C20H25ClN2O3/c1-3-25-13-15-5-4-10-23(12-15)19(24)11-18-14(2)26-20(22-18)16-6-8-17(21)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyWOFYDURUSVNMSO-UHFFFAOYSA-N
XLogP4.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110610382
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633136
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633137
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 110610328
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617224
1-(azepan-1-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
CID 122175305
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (CID 110610280) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is CCOCC1CCCN(C(=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is WOFYDURUSVNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-3-25-13-15-5-4-10-23(12-15)19(24)11-18-14(2)26-20(22-18)16-6-8-17(21)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 376.88 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110610280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).