2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C9H10F2N2O3 — CID 177183261

IUPAC2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C9H10F2N2O3/c1-4(8(14)15)7-12-6(13-16-7)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyOUXDZUGDMWEXDL-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.77
Rot. Bonds3

About 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid

2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 177183261) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID177183261
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C9H10F2N2O3/c1-4(8(14)15)7-12-6(13-16-7)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyOUXDZUGDMWEXDL-UHFFFAOYSA-N
XLogP1.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid
CID 140226947
2-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-2,2-difluoroacetic acid
CID 156468889
Methyl 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 177183362
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61392849
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
CID 64985697
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 64985806
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-one
CID 64985912
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
CID 64985913
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 64985914
3-(3-Cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 64986069
2-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 75465053
Ethyl 2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 177183261) is 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid is CC(C(=O)O)c1nc(C2CC(F)(F)C2)no1.
What is the InChIKey of 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is OUXDZUGDMWEXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-4(8(14)15)7-12-6(13-16-7)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 232.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 177183261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).