N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

C16H12BrN3O2 — CID 110391151

IUPACN-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H12BrN3O2/c1-10-2-4-11(5-3-10)15-19-20-16(22-15)14(21)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,18,21)
InChIKeyUOQJEQPXIBCXKZ-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.06
Rot. Bonds3

About N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391151) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391151
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H12BrN3O2/c1-10-2-4-11(5-3-10)15-19-20-16(22-15)14(21)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,18,21)
InChIKeyUOQJEQPXIBCXKZ-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392716
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
N-(3-bromophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392748
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391151) is N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(-c2nnc(C(=O)Nc3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UOQJEQPXIBCXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-2-4-11(5-3-10)15-19-20-16(22-15)14(21)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,18,21).
What are the key properties of N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 4.06, 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-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).