ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate

C16H13BrN2O5 — CID 112787993

IUPACethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1
InChIInChI=1S/C16H13BrN2O5/c1-2-21-16(20)10-3-5-11(6-4-10)22-9-14-18-19-15(24-14)12-7-8-13(17)23-12/h3-8H,2,9H2,1H3
InChIKeyFUKJKSXANJHMNE-UHFFFAOYSA-N
MW393.19 g/mol
LogP3.85
Rot. Bonds6

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

ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (PubChem CID 112787993) has the molecular formula C16H13BrN2O5 and a molecular weight of 393.19 g/mol. Its IUPAC name is ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
PubChem CID112787993
Molecular FormulaC16H13BrN2O5
Molecular Weight393.19 g/mol
Exact Mass392.00
IUPAC Nameethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1
InChIInChI=1S/C16H13BrN2O5/c1-2-21-16(20)10-3-5-11(6-4-10)22-9-14-18-19-15(24-14)12-7-8-13(17)23-12/h3-8H,2,9H2,1H3
InChIKeyFUKJKSXANJHMNE-UHFFFAOYSA-N
XLogP3.85
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate 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 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 16545573
methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112788001
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-methylaniline
CID 61026556
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-ethoxybenzoate
CID 9197367
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-chloro-5-ethoxy-4-propoxybenzoate
CID 29380115
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide
CID 112844134
ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4932656
7-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-propan-2-ylchromen-2-one
CID 29357253
ethyl 4-[[2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 34883175
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29379767
2-(5-bromofuran-2-yl)-5-[(2-iodophenoxy)methyl]-1,3,4-oxadiazole
CID 38878592

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The IUPAC name of ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (CID 112787993) is ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.
What is the SMILES notation for ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The canonical SMILES for ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is CCOC(=O)c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1.
What is the InChIKey of ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The InChIKey is FUKJKSXANJHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O5/c1-2-21-16(20)10-3-5-11(6-4-10)22-9-14-18-19-15(24-14)12-7-8-13(17)23-12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate has a molecular weight of 393.19 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 112787993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).