1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid

C21H19FN2O3 — CID 164706668

IUPAC1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)co2)C1
InChIInChI=1S/C21H19FN2O3/c22-18-9-7-15(8-10-18)14-3-5-16(6-4-14)19-13-27-21(23-19)24-11-1-2-17(12-24)20(25)26/h3-10,13,17H,1-2,11-12H2,(H,25,26)
InChIKeyXCVODKFCQZMUIU-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid

1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid (PubChem CID 164706668) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid
PubChem CID164706668
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)co2)C1
InChIInChI=1S/C21H19FN2O3/c22-18-9-7-15(8-10-18)14-3-5-16(6-4-14)19-13-27-21(23-19)24-11-1-2-17(12-24)20(25)26/h3-10,13,17H,1-2,11-12H2,(H,25,26)
InChIKeyXCVODKFCQZMUIU-UHFFFAOYSA-N
XLogP4.45
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-Butyl-isobutyramido)-4-phenyloxazole
CID 12556919
[3-[4-(2,4-Difluorophenyl)-1,3-oxazol-2-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 68363379
[3-[4-(3-Fluorophenyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 68363412
[3-[4-(2,5-Difluorophenyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 68363417
Cyclopentyl-[3-(4-ethylphenyl)-5-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 68363459
[3-[4-(3-Fluorophenyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 68363498
Cyclopentyl-[3-(4-ethylphenyl)-5-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 68363560
[3-(4-Ethylphenyl)-5-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 68363570
[3-(3,4-Dimethylphenyl)-5-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 68363603
[3-(4-Ethylphenyl)-5-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 68363642
[3-(4-Ethylphenyl)-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 68363650
N-ethyl-3-(4-ethylphenyl)-5-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 68363654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid (CID 164706668) is 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)co2)C1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid?
The InChIKey is XCVODKFCQZMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-18-9-7-15(8-10-18)14-3-5-16(6-4-14)19-13-27-21(23-19)24-11-1-2-17(12-24)20(25)26/h3-10,13,17H,1-2,11-12H2,(H,25,26).
What are the key properties of 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid?
1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid has a molecular weight of 366.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 164706668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).