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

C12H6BrClN2O2 — CID 1259898

IUPAC3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C12H6BrClN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H
InChIKeyBBNRKDNAJVDNIW-UHFFFAOYSA-N
MW325.55 g/mol
LogP4.41
Rot. Bonds2

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

3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 1259898) has the molecular formula C12H6BrClN2O2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID1259898
Molecular FormulaC12H6BrClN2O2
Molecular Weight325.55 g/mol
Exact Mass323.93
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C12H6BrClN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H
InChIKeyBBNRKDNAJVDNIW-UHFFFAOYSA-N
XLogP4.41
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 715522
3-(5-Bromofuran-2-yl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 717858
5-(5-Bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 750811
3-(5-Bromo-2-furyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 1259900
3-(5-Bromofuran-2-yl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 1502900
3-(5-Bromofuran-2-yl)-5-phenyl-1,2,4-oxadiazole
CID 5150753
5-(3-Bromo-furan-2-yl)-3-(4-chloro-phenyl)-[1,2,4]oxadiazole
CID 9858488
3-(5-Bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 717857
Methyl 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoate
CID 717866
3-(5-Bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 718812
3-(5-Bromofuran-2-yl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 718822
5-(5-Bromofuran-2-yl)-3-phenyl-1,2,4-oxadiazole
CID 752705

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole (CID 1259898) is 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole is Clc1ccccc1-c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is BBNRKDNAJVDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 325.55 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1259898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).