4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid

C11H16FN3O3 — CID 66826112

IUPAC4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
SMILESCC(C)(F)c1noc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H16FN3O3/c1-11(2,12)9-13-8(18-14-9)7-3-5-15(6-4-7)10(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyTWZNNLPLWXZSGA-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.13
Rot. Bonds2

About 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid

4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid (PubChem CID 66826112) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
PubChem CID66826112
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
SMILESCC(C)(F)c1noc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H16FN3O3/c1-11(2,12)9-13-8(18-14-9)7-3-5-15(6-4-7)10(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyTWZNNLPLWXZSGA-UHFFFAOYSA-N
XLogP2.13
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid (CID 66826112) is 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid is CC(C)(F)c1noc(C2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The InChIKey is TWZNNLPLWXZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-11(2,12)9-13-8(18-14-9)7-3-5-15(6-4-7)10(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid has a molecular weight of 257.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66826112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).