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

C16H12BrN3O3 — CID 110391997

IUPACN-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccccc3Br)o2)c1
InChIInChI=1S/C16H12BrN3O3/c1-22-11-6-4-5-10(9-11)15-19-20-16(23-15)14(21)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H,18,21)
InChIKeyZBCIQIINZUBJFX-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.76
Rot. Bonds4

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

N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391997) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391997
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccccc3Br)o2)c1
InChIInChI=1S/C16H12BrN3O3/c1-22-11-6-4-5-10(9-11)15-19-20-16(23-15)14(21)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H,18,21)
InChIKeyZBCIQIINZUBJFX-UHFFFAOYSA-N
XLogP3.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391988
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391867
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391997) is N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)Nc3ccccc3Br)o2)c1.
What is the InChIKey of N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZBCIQIINZUBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-22-11-6-4-5-10(9-11)15-19-20-16(23-15)14(21)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H,18,21).
What are the key properties of N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).