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

C24H24FN3O4 — CID 95853639

IUPACethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C24H24FN3O4/c1-2-31-23(30)24(10-13-28(14-11-24)22(29)20-5-3-4-12-26-20)16-19-15-21(27-32-19)17-6-8-18(25)9-7-17/h3-9,12,15H,2,10-11,13-14,16H2,1H3
InChIKeyXAOYVDDNUWJHOK-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.90
Rot. Bonds6

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

ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 95853639) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
PubChem CID95853639
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Nameethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C24H24FN3O4/c1-2-31-23(30)24(10-13-28(14-11-24)22(29)20-5-3-4-12-26-20)16-19-15-21(27-32-19)17-6-8-18(25)9-7-17/h3-9,12,15H,2,10-11,13-14,16H2,1H3
InChIKeyXAOYVDDNUWJHOK-UHFFFAOYSA-N
XLogP3.90
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate (CID 95853639) is ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is XAOYVDDNUWJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-2-31-23(30)24(10-13-28(14-11-24)22(29)20-5-3-4-12-26-20)16-19-15-21(27-32-19)17-6-8-18(25)9-7-17/h3-9,12,15H,2,10-11,13-14,16H2,1H3.
What are the key properties of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 95853639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).