2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

C9H11FN2O3 — CID 70845901

IUPAC2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCC(F)CC2)n1
InChIInChI=1S/C9H11FN2O3/c10-6-1-3-12(4-2-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyDPGOISRIZWOTEH-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.31
Rot. Bonds2

About 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 70845901) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID70845901
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCC(F)CC2)n1
InChIInChI=1S/C9H11FN2O3/c10-6-1-3-12(4-2-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyDPGOISRIZWOTEH-UHFFFAOYSA-N
XLogP1.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
2-(2,5-dihydropyrrol-1-yl)-1,3-oxazole-4-carboxylic acid
CID 131096590
2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 127020316
2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70846090
2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 143797134
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166240100
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
N-methyl-2-morpholin-4-yl-1,3-oxazole-4-carboxamide
CID 142501279
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134713696
2-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166258912

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 70845901) is 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCC(F)CC2)n1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is DPGOISRIZWOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-6-1-3-12(4-2-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 214.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70845901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).