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

C12H11FN2O4 — CID 61314085

IUPAC2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O4/c13-9-3-1-2-8(4-9)5-10-14-11(19-15-10)6-18-7-12(16)17/h1-4H,5-7H2,(H,16,17)
InChIKeyOEGZZKDLBLQHSV-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.40
Rot. Bonds6

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

2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 61314085) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID61314085
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O4/c13-9-3-1-2-8(4-9)5-10-14-11(19-15-10)6-18-7-12(16)17/h1-4H,5-7H2,(H,16,17)
InChIKeyOEGZZKDLBLQHSV-UHFFFAOYSA-N
XLogP1.40
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 61314085) is 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is OEGZZKDLBLQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-9-3-1-2-8(4-9)5-10-14-11(19-15-10)6-18-7-12(16)17/h1-4H,5-7H2,(H,16,17).
What are the key properties of 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 266.23 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 61314085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).