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

C14H11BrN2O4 — CID 1219876

IUPAC2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC
InChIInChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-17-14(21-13)10-5-6-12(15)20-10/h3-7H,1-2H3
InChIKeyCAJCHFLRAUBNQL-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.78
Rot. Bonds4

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

2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 1219876) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID1219876
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC
InChIInChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-17-14(21-13)10-5-6-12(15)20-10/h3-7H,1-2H3
InChIKeyCAJCHFLRAUBNQL-UHFFFAOYSA-N
XLogP3.78
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
CID 687460
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(1,3-Benzodioxol-5-yl)-5-(5-bromo-2-furyl)-1,3,4-oxadiazole
CID 737596
2-(4-Bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
CID 647736
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746
2-(2,5-Dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole
CID 644574
2-Furan-2-yl-5-(4-propoxy-phenyl)-[1,3,4]oxadiazole
CID 649099
2-Furan-2-yl-5-(4-isobutoxy-phenyl)-[1,3,4]oxadiazole
CID 652981
2-(4-Butoxy-phenyl)-5-furan-2-yl-[1,3,4]oxadiazole
CID 655323
2-(5-Bromo-2-furyl)-5-phenyl-1,3,4-oxadiazole
CID 676107
2-(3-Methoxy-phenyl)-5-(5-methyl-furan-2-yl)-[1,3,4]oxadiazole
CID 856539
2-(4-Bromophenyl)-5-(2-furyl)-1,3,4-oxadiazole
CID 1362916

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (CID 1219876) is 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is CAJCHFLRAUBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-17-14(21-13)10-5-6-12(15)20-10/h3-7H,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 351.16 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1219876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).