ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate

C24H26FN3O3 — CID 95853676

IUPACethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C24H26FN3O3/c1-2-30-23(29)24(10-3-13-28(17-24)16-18-8-11-26-12-9-18)15-21-14-22(27-31-21)19-4-6-20(25)7-5-19/h4-9,11-12,14H,2-3,10,13,15-17H2,1H3/t24-/m0/s1
InChIKeyCJDHMNRHOPEJQC-DEOSSOPVSA-N
MW423.49 g/mol
LogP4.26
Rot. Bonds7

About ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate

ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate (PubChem CID 95853676) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
PubChem CID95853676
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Nameethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C24H26FN3O3/c1-2-30-23(29)24(10-3-13-28(17-24)16-18-8-11-26-12-9-18)15-21-14-22(27-31-21)19-4-6-20(25)7-5-19/h4-9,11-12,14H,2-3,10,13,15-17H2,1H3/t24-/m0/s1
InChIKeyCJDHMNRHOPEJQC-DEOSSOPVSA-N
XLogP4.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 95853666
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
ethyl (3S)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(3-methylimidazol-4-yl)methyl]piperidine-3-carboxylate
CID 95853664
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 95853639
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 42395681
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 95853634
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl 3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234228
ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853617
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232340
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate (CID 95853676) is ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2ccncc2)C1.
What is the InChIKey of ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The InChIKey is CJDHMNRHOPEJQC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-30-23(29)24(10-3-13-28(17-24)16-18-8-11-26-12-9-18)15-21-14-22(27-31-21)19-4-6-20(25)7-5-19/h4-9,11-12,14H,2-3,10,13,15-17H2,1H3/t24-/m0/s1.
What are the key properties of ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 95853676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).