N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

C14H9BrClN3O — CID 70676807

IUPACN-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C14H9BrClN3O/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19)
InChIKeyKEBDAJXWKAQXKG-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.90
Rot. Bonds3

About N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 70676807) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID70676807
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC NameN-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C14H9BrClN3O/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19)
InChIKeyKEBDAJXWKAQXKG-UHFFFAOYSA-N
XLogP4.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-amine
CID 15415438
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575
5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533205
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine (CID 70676807) is N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(-c2nnc(Nc3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KEBDAJXWKAQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19).
What are the key properties of N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 350.60 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 70676807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).