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

C23H25FN2O3S — CID 92592926

IUPACethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C23H25FN2O3S/c1-2-28-22(27)23(8-10-26(11-9-23)15-17-7-12-30-16-17)14-18-13-21(25-29-18)19-5-3-4-6-20(19)24/h3-7,12-13,16H,2,8-11,14-15H2,1H3
InChIKeyWACHDTXBAZTYTL-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.93
Rot. Bonds7

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

ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate (PubChem CID 92592926) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
PubChem CID92592926
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Nameethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C23H25FN2O3S/c1-2-28-22(27)23(8-10-26(11-9-23)15-17-7-12-30-16-17)14-18-13-21(25-29-18)19-5-3-4-6-20(19)24/h3-7,12-13,16H,2,8-11,14-15H2,1H3
InChIKeyWACHDTXBAZTYTL-UHFFFAOYSA-N
XLogP4.93
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853601
ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853617
ethyl (3S)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(3-methylimidazol-4-yl)methyl]piperidine-3-carboxylate
CID 95853664
ethyl 1-(cyclopropanecarbonyl)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 110234225
ethyl 3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110242675
ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853614
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 95853639
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 95853634
ethyl 1-[(1S,2S)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592889
ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592890
ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 95853676
ethyl (3S)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 95853666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate (CID 92592926) is ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(Cc2ccsc2)CC1.
What is the InChIKey of ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate?
The InChIKey is WACHDTXBAZTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-2-28-22(27)23(8-10-26(11-9-23)15-17-7-12-30-16-17)14-18-13-21(25-29-18)19-5-3-4-6-20(19)24/h3-7,12-13,16H,2,8-11,14-15H2,1H3.
What are the key properties of ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate?
ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 92592926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).