2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C17H14BrN3O2 — CID 2985918

IUPAC2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccccc3Br)n2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)16-20-15(23-21-16)10-19-17(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyYUMQVHLXNXHXNR-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 2985918) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID2985918
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccccc3Br)n2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)16-20-15(23-21-16)10-19-17(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyYUMQVHLXNXHXNR-UHFFFAOYSA-N
XLogP3.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 2985918) is 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1cccc(-c2noc(CNC(=O)c3ccccc3Br)n2)c1.
What is the InChIKey of 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is YUMQVHLXNXHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)16-20-15(23-21-16)10-19-17(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 372.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 2985918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).