methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate

C8H5BrN2O4 — CID 131031423

IUPACmethyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2coc(Br)c2)o1
InChIInChI=1S/C8H5BrN2O4/c1-13-8(12)7-11-10-6(15-7)4-2-5(9)14-3-4/h2-3H,1H3
InChIKeyKTJDHDDXARZIDF-UHFFFAOYSA-N
MW273.04 g/mol
LogP1.88
Rot. Bonds2

About methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate

methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 131031423) has the molecular formula C8H5BrN2O4 and a molecular weight of 273.04 g/mol. Its IUPAC name is methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID131031423
Molecular FormulaC8H5BrN2O4
Molecular Weight273.04 g/mol
Exact Mass271.94
IUPAC Namemethyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2coc(Br)c2)o1
InChIInChI=1S/C8H5BrN2O4/c1-13-8(12)7-11-10-6(15-7)4-2-5(9)14-3-4/h2-3H,1H3
InChIKeyKTJDHDDXARZIDF-UHFFFAOYSA-N
XLogP1.88
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate 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

methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 114822236
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271
methyl 5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960711
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
CID 130767613
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
methyl 5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619157
methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685401
methyl 5-(2-tert-butylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618883

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate (CID 131031423) is methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(-c2coc(Br)c2)o1.
What is the InChIKey of methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is KTJDHDDXARZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O4/c1-13-8(12)7-11-10-6(15-7)4-2-5(9)14-3-4/h2-3H,1H3.
What are the key properties of methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 273.04 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 131031423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).