4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid

C23H23FN2O3 — CID 110120079

IUPAC4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)cc1
InChIInChI=1S/C23H23FN2O3/c24-20-9-5-16(6-10-20)12-21-13-25-22(29-21)19-2-1-11-26(15-19)14-17-3-7-18(8-4-17)23(27)28/h3-10,13,19H,1-2,11-12,14-15H2,(H,27,28)
InChIKeyLYPOKOCFSCIRHT-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.48
Rot. Bonds6

About 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid

4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid (PubChem CID 110120079) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
PubChem CID110120079
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)cc1
InChIInChI=1S/C23H23FN2O3/c24-20-9-5-16(6-10-20)12-21-13-25-22(29-21)19-2-1-11-26(15-19)14-17-3-7-18(8-4-17)23(27)28/h3-10,13,19H,1-2,11-12,14-15H2,(H,27,28)
InChIKeyLYPOKOCFSCIRHT-UHFFFAOYSA-N
XLogP4.48
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid 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

1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124990410
6-[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124992802
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124998433
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 124988391
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125006336
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124948495
3-[[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 124970918
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129453940
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124978352
[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110120163

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid (CID 110120079) is 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid is O=C(O)c1ccc(CN2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)cc1.
What is the InChIKey of 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid?
The InChIKey is LYPOKOCFSCIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-20-9-5-16(6-10-20)12-21-13-25-22(29-21)19-2-1-11-26(15-19)14-17-3-7-18(8-4-17)23(27)28/h3-10,13,19H,1-2,11-12,14-15H2,(H,27,28).
What are the key properties of 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid?
4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid has a molecular weight of 394.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 110120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).