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

C16H17FN2O3 — CID 119906674

IUPAC1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C16H17FN2O3/c17-13-3-1-11(2-4-13)15-9-14(22-18-15)10-19-7-5-12(6-8-19)16(20)21/h1-4,9,12H,5-8,10H2,(H,20,21)
InChIKeyOFIVECAYFAGFGK-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.78
Rot. Bonds4

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

1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119906674) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119906674
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C16H17FN2O3/c17-13-3-1-11(2-4-13)15-9-14(22-18-15)10-19-7-5-12(6-8-19)16(20)21/h1-4,9,12H,5-8,10H2,(H,20,21)
InChIKeyOFIVECAYFAGFGK-UHFFFAOYSA-N
XLogP2.78
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134018458
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
(3aS,6aR)-2-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680435
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 136563170
1-(4-chloro-3-methoxyphenyl)-3-[1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]propan-1-one
CID 58504097
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 25476456
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid (CID 119906674) is 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is OFIVECAYFAGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-3-1-11(2-4-13)15-9-14(22-18-15)10-19-7-5-12(6-8-19)16(20)21/h1-4,9,12H,5-8,10H2,(H,20,21).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid?
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119906674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).