2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid

C9H8N2O4 — CID 115079625

IUPAC2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(Cc2ccco2)n1
InChIInChI=1S/C9H8N2O4/c12-9(13)5-7-10-8(15-11-7)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,12,13)
InChIKeyLDOKFVGYQUTSOY-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.88
Rot. Bonds4

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

2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 115079625) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID115079625
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(Cc2ccco2)n1
InChIInChI=1S/C9H8N2O4/c12-9(13)5-7-10-8(15-11-7)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,12,13)
InChIKeyLDOKFVGYQUTSOY-UHFFFAOYSA-N
XLogP0.88
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079017
5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid (CID 115079625) is 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid is O=C(O)Cc1noc(Cc2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is LDOKFVGYQUTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-9(13)5-7-10-8(15-11-7)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 208.17 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 115079625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).