5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C11H10BrN3O2 — CID 106399961

IUPAC5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ncon1
InChIInChI=1S/C11H10BrN3O2/c1-7-2-3-8(12)4-9(7)11(16)13-5-10-14-6-17-15-10/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyIIUOZSAFCNNMKG-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106399961) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106399961
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ncon1
InChIInChI=1S/C11H10BrN3O2/c1-7-2-3-8(12)4-9(7)11(16)13-5-10-14-6-17-15-10/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyIIUOZSAFCNNMKG-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106399959
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
3-amino-6-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106410197
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106399961) is 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is Cc1ccc(Br)cc1C(=O)NCc1ncon1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is IIUOZSAFCNNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-2-3-8(12)4-9(7)11(16)13-5-10-14-6-17-15-10/h2-4,6H,5H2,1H3,(H,13,16).
What are the key properties of 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 296.12 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106399961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).