4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid

C7H8F2N2O3 — CID 60912450

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)7-11-10-4(14-7)2-1-3-5(12)13/h6H,1-3H2,(H,12,13)
InChIKeyRBPKZOQODWBTKD-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.41
Rot. Bonds5

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 60912450) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID60912450
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)7-11-10-4(14-7)2-1-3-5(12)13/h6H,1-3H2,(H,12,13)
InChIKeyRBPKZOQODWBTKD-UHFFFAOYSA-N
XLogP1.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 104521010
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930127
4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 65204845

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 60912450) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(C(F)F)o1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is RBPKZOQODWBTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-6(9)7-11-10-4(14-7)2-1-3-5(12)13/h6H,1-3H2,(H,12,13).
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 206.15 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 60912450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).