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

C12H10F2N2O4 — CID 61496276

IUPAC2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H10F2N2O4/c13-8-1-7(2-9(14)4-8)3-10-15-11(20-16-10)5-19-6-12(17)18/h1-2,4H,3,5-6H2,(H,17,18)
InChIKeyBKVOOJRMEFYBSY-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.54
Rot. Bonds6

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

2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 61496276) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID61496276
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H10F2N2O4/c13-8-1-7(2-9(14)4-8)3-10-15-11(20-16-10)5-19-6-12(17)18/h1-2,4H,3,5-6H2,(H,17,18)
InChIKeyBKVOOJRMEFYBSY-UHFFFAOYSA-N
XLogP1.54
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 61496276) is 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is BKVOOJRMEFYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c13-8-1-7(2-9(14)4-8)3-10-15-11(20-16-10)5-19-6-12(17)18/h1-2,4H,3,5-6H2,(H,17,18).
What are the key properties of 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 284.22 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 61496276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).