[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate

C14H9BrN2O4 — CID 2631624

IUPAC[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2Br)o1)c1ccco1
InChIInChI=1S/C14H9BrN2O4/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-20-14(18)11-6-3-7-19-11/h1-7H,8H2
InChIKeyALCDDJGYVVQFCV-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.45
Rot. Bonds4

About [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate

[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate (PubChem CID 2631624) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
PubChem CID2631624
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC Name[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2Br)o1)c1ccco1
InChIInChI=1S/C14H9BrN2O4/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-20-14(18)11-6-3-7-19-11/h1-7H,8H2
InChIKeyALCDDJGYVVQFCV-UHFFFAOYSA-N
XLogP3.45
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-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

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The IUPAC name of [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate (CID 2631624) is [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The canonical SMILES for [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate is O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccco1.
What is the InChIKey of [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The InChIKey is ALCDDJGYVVQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c15-10-5-2-1-4-9(10)13-17-16-12(21-13)8-20-14(18)11-6-3-7-19-11/h1-7H,8H2.
What are the key properties of [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate has a molecular weight of 349.14 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 2631624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).