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

C9H7BrN2O5 — CID 106855287

IUPAC2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C9H7BrN2O5/c10-8-5(1-2-16-8)9-12-11-6(17-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUCDSEAOSIWUQRA-UHFFFAOYSA-N
MW303.07 g/mol
LogP1.69
Rot. Bonds5

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

2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 106855287) has the molecular formula C9H7BrN2O5 and a molecular weight of 303.07 g/mol. Its IUPAC name is 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID106855287
Molecular FormulaC9H7BrN2O5
Molecular Weight303.07 g/mol
Exact Mass301.95
IUPAC Name2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C9H7BrN2O5/c10-8-5(1-2-16-8)9-12-11-6(17-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUCDSEAOSIWUQRA-UHFFFAOYSA-N
XLogP1.69
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 63798602
[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106855917
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-(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-(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-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 106855287) is 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(-c2ccoc2Br)o1.
What is the InChIKey of 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is UCDSEAOSIWUQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O5/c10-8-5(1-2-16-8)9-12-11-6(17-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14).
What are the key properties of 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 303.07 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 106855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).