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

C12H11FN2O5 — CID 102884314

IUPAC2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCOc1ccc(-c2nnc(COCC(=O)O)o2)c(F)c1
InChIInChI=1S/C12H11FN2O5/c1-18-7-2-3-8(9(13)4-7)12-15-14-10(20-12)5-19-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyCEBXONQTSBQNFW-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.49
Rot. Bonds6

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

2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 102884314) has the molecular formula C12H11FN2O5 and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID102884314
Molecular FormulaC12H11FN2O5
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCOc1ccc(-c2nnc(COCC(=O)O)o2)c(F)c1
InChIInChI=1S/C12H11FN2O5/c1-18-7-2-3-8(9(13)4-7)12-15-14-10(20-12)5-19-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyCEBXONQTSBQNFW-UHFFFAOYSA-N
XLogP1.49
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 106855287
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
2-[[5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81475602
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2-[[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81105481
5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 102885450
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-4-methoxybenzoate
CID 7887694

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 102884314) is 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is COc1ccc(-c2nnc(COCC(=O)O)o2)c(F)c1.
What is the InChIKey of 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is CEBXONQTSBQNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5/c1-18-7-2-3-8(9(13)4-7)12-15-14-10(20-12)5-19-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 282.23 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 102884314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).