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

C22H30N2O3 — CID 110610382

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(CC)cc3)oc2C)C1
InChIInChI=1S/C22H30N2O3/c1-4-17-8-10-19(11-9-17)22-23-20(16(3)27-22)13-21(25)24-12-6-7-18(14-24)15-26-5-2/h8-11,18H,4-7,12-15H2,1-3H3
InChIKeyTYWZBEONGAEIFP-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.03
Rot. Bonds7

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

1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (PubChem CID 110610382) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
PubChem CID110610382
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(CC)cc3)oc2C)C1
InChIInChI=1S/C22H30N2O3/c1-4-17-8-10-19(11-9-17)22-23-20(16(3)27-22)13-21(25)24-12-6-7-18(14-24)15-26-5-2/h8-11,18H,4-7,12-15H2,1-3H3
InChIKeyTYWZBEONGAEIFP-UHFFFAOYSA-N
XLogP4.03
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110610280
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633136
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 110371827
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
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633137
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
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-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110416521

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (CID 110610382) is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is CCOCC1CCCN(C(=O)Cc2nc(-c3ccc(CC)cc3)oc2C)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The InChIKey is TYWZBEONGAEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-17-8-10-19(11-9-17)22-23-20(16(3)27-22)13-21(25)24-12-6-7-18(14-24)15-26-5-2/h8-11,18H,4-7,12-15H2,1-3H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone has a molecular weight of 370.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 110610382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).