2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole

C9H6BrClN2O2 — CID 114771081

IUPAC2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nnc(Br)o1
InChIInChI=1S/C9H6BrClN2O2/c1-14-7-3-2-5(11)4-6(7)8-12-13-9(10)15-8/h2-4H,1H3
InChIKeySIXBWXOYZWWEIZ-UHFFFAOYSA-N
MW289.52 g/mol
LogP3.16
Rot. Bonds2

About 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole

2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 114771081) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID114771081
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nnc(Br)o1
InChIInChI=1S/C9H6BrClN2O2/c1-14-7-3-2-5(11)4-6(7)8-12-13-9(10)15-8/h2-4H,1H3
InChIKeySIXBWXOYZWWEIZ-UHFFFAOYSA-N
XLogP3.16
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685401
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1257317
4-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 118337274
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole (CID 114771081) is 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(Cl)cc1-c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is SIXBWXOYZWWEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-14-7-3-2-5(11)4-6(7)8-12-13-9(10)15-8/h2-4H,1H3.
What are the key properties of 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole?
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 289.52 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).