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

C15H11BrN2O5 — CID 112788001

IUPACmethyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C15H11BrN2O5/c1-20-15(19)9-3-2-4-10(7-9)21-8-13-17-18-14(23-13)11-5-6-12(16)22-11/h2-7H,8H2,1H3
InChIKeyJKUWUHIAOMNBAI-UHFFFAOYSA-N
MW379.17 g/mol
LogP3.46
Rot. Bonds5

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

methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (PubChem CID 112788001) has the molecular formula C15H11BrN2O5 and a molecular weight of 379.17 g/mol. Its IUPAC name is methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
PubChem CID112788001
Molecular FormulaC15H11BrN2O5
Molecular Weight379.17 g/mol
Exact Mass377.99
IUPAC Namemethyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C15H11BrN2O5/c1-20-15(19)9-3-2-4-10(7-9)21-8-13-17-18-14(23-13)11-5-6-12(16)22-11/h2-7H,8H2,1H3
InChIKeyJKUWUHIAOMNBAI-UHFFFAOYSA-N
XLogP3.46
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 16545573
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide
CID 112844134
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112787993
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-methylaniline
CID 61026556
7-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-propan-2-ylchromen-2-one
CID 29357253
methyl 3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 51139460
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
2-(5-bromofuran-2-yl)-5-[(2-iodophenoxy)methyl]-1,3,4-oxadiazole
CID 38878592
methyl 3-ethoxybenzoate
CID 3267781
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 41060778

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (CID 112788001) is methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1.
What is the InChIKey of methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The InChIKey is JKUWUHIAOMNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O5/c1-20-15(19)9-3-2-4-10(7-9)21-8-13-17-18-14(23-13)11-5-6-12(16)22-11/h2-7H,8H2,1H3.
What are the key properties of methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate has a molecular weight of 379.17 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 112788001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).