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

C17H14BrN3O2 — CID 110319392

IUPAC2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1cccc(-c2nnc(CNC(=O)c3ccccc3Br)o2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)17-21-20-15(23-17)10-19-16(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRGIVCUPJPQATTQ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.74
Rot. Bonds4

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

2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319392) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319392
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1cccc(-c2nnc(CNC(=O)c3ccccc3Br)o2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)17-21-20-15(23-17)10-19-16(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRGIVCUPJPQATTQ-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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Related Compounds

2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110319445
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
CID 110319446
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
2-(dimethylamino)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 110615826

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319392) is 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1cccc(-c2nnc(CNC(=O)c3ccccc3Br)o2)c1.
What is the InChIKey of 2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is RGIVCUPJPQATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-5-4-6-12(9-11)17-21-20-15(23-17)10-19-16(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-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-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-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).