2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid

C10H7FN2O4 — CID 2560682

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C10H7FN2O4/c11-7-3-1-6(2-4-7)9-12-13(5-8(14)15)10(16)17-9/h1-4H,5H2,(H,14,15)
InChIKeyMWVSPYYEJYTGJS-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.73
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid (PubChem CID 2560682) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid
PubChem CID2560682
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C10H7FN2O4/c11-7-3-1-6(2-4-7)9-12-13(5-8(14)15)10(16)17-9/h1-4H,5H2,(H,14,15)
InChIKeyMWVSPYYEJYTGJS-UHFFFAOYSA-N
XLogP0.73
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid (CID 2560682) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid is O=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid?
The InChIKey is MWVSPYYEJYTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-7-3-1-6(2-4-7)9-12-13(5-8(14)15)10(16)17-9/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid has a molecular weight of 238.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 2560682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).