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

C10H10N2O5 — CID 61327899

IUPAC2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCc1ccc(-c2nnc(COCC(=O)O)o2)o1
InChIInChI=1S/C10H10N2O5/c1-6-2-3-7(16-6)10-12-11-8(17-10)4-15-5-9(13)14/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyTXICDVMAFIRZQO-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.24
Rot. Bonds5

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

2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 61327899) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID61327899
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCc1ccc(-c2nnc(COCC(=O)O)o2)o1
InChIInChI=1S/C10H10N2O5/c1-6-2-3-7(16-6)10-12-11-8(17-10)4-15-5-9(13)14/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyTXICDVMAFIRZQO-UHFFFAOYSA-N
XLogP1.24
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
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-[[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-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65198741
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-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327708
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
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-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 61327899) is 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is Cc1ccc(-c2nnc(COCC(=O)O)o2)o1.
What is the InChIKey of 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is TXICDVMAFIRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6-2-3-7(16-6)10-12-11-8(17-10)4-15-5-9(13)14/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 238.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 61327899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).