2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C10H9F5N2O3 — CID 58428958

IUPAC2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(F)(F)CC2)nc1C(F)(F)F
InChIInChI=1S/C10H9F5N2O3/c11-9(12)1-3-17(4-2-9)8-16-6(10(13,14)15)5(20-8)7(18)19/h1-4H2,(H,18,19)
InChIKeyFOIZLLNLJCVDMK-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.63
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428958) has the molecular formula C10H9F5N2O3 and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428958
Molecular FormulaC10H9F5N2O3
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(F)(F)CC2)nc1C(F)(F)F
InChIInChI=1S/C10H9F5N2O3/c11-9(12)1-3-17(4-2-9)8-16-6(10(13,14)15)5(20-8)7(18)19/h1-4H2,(H,18,19)
InChIKeyFOIZLLNLJCVDMK-UHFFFAOYSA-N
XLogP2.63
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 87343436
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428727
2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428628
2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428794
2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428795
2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199394
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429134
2-(2,2-dimethylcyclohexyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107185730
4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid
CID 70890822
2-(1,4-dioxan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199319
propan-2-yl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 67387021
2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 114247148

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428958) is 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCC(F)(F)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is FOIZLLNLJCVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3/c11-9(12)1-3-17(4-2-9)8-16-6(10(13,14)15)5(20-8)7(18)19/h1-4H2,(H,18,19).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 300.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).