[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C21H26N2O4 — CID 55497144

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCC(=O)N3CCCCC3C)o2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-6-8-17(9-7-15)18-13-22-19(27-18)10-11-21(25)26-14-20(24)23-12-4-3-5-16(23)2/h6-9,13,16H,3-5,10-12,14H2,1-2H3
InChIKeyBBLYKQZQLNTTQE-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds6

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55497144) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55497144
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCC(=O)N3CCCCC3C)o2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-6-8-17(9-7-15)18-13-22-19(27-18)10-11-21(25)26-14-20(24)23-12-4-3-5-16(23)2/h6-9,13,16H,3-5,10-12,14H2,1-2H3
InChIKeyBBLYKQZQLNTTQE-UHFFFAOYSA-N
XLogP3.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate with MolForge

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119630842
1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 56811973
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800394
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119435741
(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 97251422
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 2013100
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55496196
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55889332
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 55497144) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3CCCCC3C)o2)cc1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is BBLYKQZQLNTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-6-8-17(9-7-15)18-13-22-19(27-18)10-11-21(25)26-14-20(24)23-12-4-3-5-16(23)2/h6-9,13,16H,3-5,10-12,14H2,1-2H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 370.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).