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

C10H14F2N2O4 — CID 103210002

IUPAC4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C10H14F2N2O4/c11-7(12)6-17-5-4-9-14-13-8(18-9)2-1-3-10(15)16/h7H,1-6H2,(H,15,16)
InChIKeyAVZVOCYIEISYSK-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.30
Rot. Bonds9

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

4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 103210002) has the molecular formula C10H14F2N2O4 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID103210002
Molecular FormulaC10H14F2N2O4
Molecular Weight264.23 g/mol
Exact Mass264.09
IUPAC Name4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C10H14F2N2O4/c11-7(12)6-17-5-4-9-14-13-8(18-9)2-1-3-10(15)16/h7H,1-6H2,(H,15,16)
InChIKeyAVZVOCYIEISYSK-UHFFFAOYSA-N
XLogP1.30
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid (CID 103210002) is 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(CCOCC(F)F)o1.
What is the InChIKey of 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is AVZVOCYIEISYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O4/c11-7(12)6-17-5-4-9-14-13-8(18-9)2-1-3-10(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 264.23 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 103210002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).