ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate

C19H22N2O4 — CID 46387154

IUPACethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)16-17(25-12-20-16)14-6-4-5-7-15(14)18(22)21-10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyPVLBDACSFQFOGN-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.39
Rot. Bonds4

About ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 46387154) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID46387154
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)16-17(25-12-20-16)14-6-4-5-7-15(14)18(22)21-10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyPVLBDACSFQFOGN-UHFFFAOYSA-N
XLogP3.39
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate (CID 46387154) is ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is PVLBDACSFQFOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-19(23)16-17(25-12-20-16)14-6-4-5-7-15(14)18(22)21-10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46387154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).