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

C16H11BrFN3O2 — CID 110392716

IUPACN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1Br
InChIInChI=1S/C16H11BrFN3O2/c1-9-2-7-12(8-13(9)17)19-14(22)16-21-20-15(23-16)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,22)
InChIKeyIKHOQNFFXOTGKY-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.20
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392716) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392716
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1Br
InChIInChI=1S/C16H11BrFN3O2/c1-9-2-7-12(8-13(9)17)19-14(22)16-21-20-15(23-16)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,22)
InChIKeyIKHOQNFFXOTGKY-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392748
N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392752
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392708

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392716) is N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IKHOQNFFXOTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c1-9-2-7-12(8-13(9)17)19-14(22)16-21-20-15(23-16)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 376.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).