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

C12H12BrN3O2 — CID 103773544

IUPAC2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCCc2ncon2)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-2-3-10(13)9(6-8)12(17)14-5-4-11-15-7-18-16-11/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyNVAITZIQBHVNTI-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.11
Rot. Bonds4

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

2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 103773544) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID103773544
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCCc2ncon2)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-2-3-10(13)9(6-8)12(17)14-5-4-11-15-7-18-16-11/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyNVAITZIQBHVNTI-UHFFFAOYSA-N
XLogP2.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182826
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
4-chloro-2-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 113346470
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 103773544) is 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1ccc(Br)c(C(=O)NCCc2ncon2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is NVAITZIQBHVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-2-3-10(13)9(6-8)12(17)14-5-4-11-15-7-18-16-11/h2-3,6-7H,4-5H2,1H3,(H,14,17).
What are the key properties of 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 310.15 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 103773544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).