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

C6H6F2N2O3 — CID 60907405

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(C(F)F)o1
InChIInChI=1S/C6H6F2N2O3/c7-5(8)6-10-9-3(13-6)1-2-4(11)12/h5H,1-2H2,(H,11,12)
InChIKeyKOBXYOAENUITRX-UHFFFAOYSA-N
MW192.12 g/mol
LogP1.02
Rot. Bonds4

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

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 60907405) has the molecular formula C6H6F2N2O3 and a molecular weight of 192.12 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID60907405
Molecular FormulaC6H6F2N2O3
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(C(F)F)o1
InChIInChI=1S/C6H6F2N2O3/c7-5(8)6-10-9-3(13-6)1-2-4(11)12/h5H,1-2H2,(H,11,12)
InChIKeyKOBXYOAENUITRX-UHFFFAOYSA-N
XLogP1.02
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 60907405) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid is O=C(O)CCc1nnc(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is KOBXYOAENUITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O3/c7-5(8)6-10-9-3(13-6)1-2-4(11)12/h5H,1-2H2,(H,11,12).
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 192.12 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 60907405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).