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

C23H23FN2O4S — CID 95853634

IUPACethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H23FN2O4S/c1-2-29-22(28)23(9-11-26(12-10-23)21(27)20-4-3-13-31-20)15-18-14-19(25-30-18)16-5-7-17(24)8-6-16/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyGDILVYBQXYRGRA-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.57
Rot. Bonds6

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

ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 95853634) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID95853634
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Nameethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H23FN2O4S/c1-2-29-22(28)23(9-11-26(12-10-23)21(27)20-4-3-13-31-20)15-18-14-19(25-30-18)16-5-7-17(24)8-6-16/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyGDILVYBQXYRGRA-UHFFFAOYSA-N
XLogP4.57
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)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 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 95853639
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 95853676
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 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853617
ethyl 3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234228
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
1-[4-(3,3-dimethylpiperidine-1-carbonyl)-4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 155899906
ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 25381757
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791
ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 92592926

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 95853634) is ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is GDILVYBQXYRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-2-29-22(28)23(9-11-26(12-10-23)21(27)20-4-3-13-31-20)15-18-14-19(25-30-18)16-5-7-17(24)8-6-16/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 4.57, 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-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 95853634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).