ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate

C20H23FN2O4 — CID 45171030

IUPACethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C20H23FN2O4/c1-2-26-19(24)13-17-5-3-4-10-23(17)20(25)18-12-16(22-27-18)11-14-6-8-15(21)9-7-14/h6-9,12,17H,2-5,10-11,13H2,1H3
InChIKeyLVAWIRLFTOIUMA-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.35
Rot. Bonds6

About ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate

ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate (PubChem CID 45171030) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate
PubChem CID45171030
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Nameethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C20H23FN2O4/c1-2-26-19(24)13-17-5-3-4-10-23(17)20(25)18-12-16(22-27-18)11-14-6-8-15(21)9-7-14/h6-9,12,17H,2-5,10-11,13H2,1H3
InChIKeyLVAWIRLFTOIUMA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate (CID 45171030) is ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1.
What is the InChIKey of ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate?
The InChIKey is LVAWIRLFTOIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-2-26-19(24)13-17-5-3-4-10-23(17)20(25)18-12-16(22-27-18)11-14-6-8-15(21)9-7-14/h6-9,12,17H,2-5,10-11,13H2,1H3.
What are the key properties of ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate?
ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate has a molecular weight of 374.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidin-2-yl]acetate is sourced from PubChem (CID 45171030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).