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

C11H12N2O5 — CID 114103591

IUPAC2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCCc1occc1-c1nnc(COCC(=O)O)o1
InChIInChI=1S/C11H12N2O5/c1-2-8-7(3-4-17-8)11-13-12-9(18-11)5-16-6-10(14)15/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyGWSSRFMCBCIKDB-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.49
Rot. Bonds6

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

2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 114103591) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID114103591
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCCc1occc1-c1nnc(COCC(=O)O)o1
InChIInChI=1S/C11H12N2O5/c1-2-8-7(3-4-17-8)11-13-12-9(18-11)5-16-6-10(14)15/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyGWSSRFMCBCIKDB-UHFFFAOYSA-N
XLogP1.49
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 106855287
4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114103590
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 102884314
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65216400
2-[[5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81475602
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 63798602
2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 136710745

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 114103591) is 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is CCc1occc1-c1nnc(COCC(=O)O)o1.
What is the InChIKey of 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is GWSSRFMCBCIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-2-8-7(3-4-17-8)11-13-12-9(18-11)5-16-6-10(14)15/h3-4H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 252.23 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-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 114103591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).