ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate

C20H23FN2O4 — CID 22221036

IUPACethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-2-26-20(25)17-5-3-4-12-23(17)18(24)11-8-15-13-22-27-19(15)14-6-9-16(21)10-7-14/h6-7,9-10,13,17H,2-5,8,11-12H2,1H3
InChIKeyVWJIHIQLCGUYEB-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.36
Rot. Bonds6

About ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate

ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate (PubChem CID 22221036) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate
PubChem CID22221036
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Nameethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-2-26-20(25)17-5-3-4-12-23(17)18(24)11-8-15-13-22-27-19(15)14-6-9-16(21)10-7-14/h6-7,9-10,13,17H,2-5,8,11-12H2,1H3
InChIKeyVWJIHIQLCGUYEB-UHFFFAOYSA-N
XLogP3.36
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate (CID 22221036) is ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CCc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate?
The InChIKey is VWJIHIQLCGUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-2-26-20(25)17-5-3-4-12-23(17)18(24)11-8-15-13-22-27-19(15)14-6-9-16(21)10-7-14/h6-7,9-10,13,17H,2-5,8,11-12H2,1H3.
What are the key properties of ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate?
ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate has a molecular weight of 374.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 22221036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).