3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C10H7Br2N3O2 — CID 107980577

IUPAC3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C10H7Br2N3O2/c1-5-14-15-10(17-5)13-9(16)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H,13,15,16)
InChIKeyMNMLSSAFIXHYKW-UHFFFAOYSA-N
MW360.99 g/mol
LogP3.16
Rot. Bonds2

About 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 107980577) has the molecular formula C10H7Br2N3O2 and a molecular weight of 360.99 g/mol. Its IUPAC name is 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID107980577
Molecular FormulaC10H7Br2N3O2
Molecular Weight360.99 g/mol
Exact Mass358.89
IUPAC Name3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C10H7Br2N3O2/c1-5-14-15-10(17-5)13-9(16)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H,13,15,16)
InChIKeyMNMLSSAFIXHYKW-UHFFFAOYSA-N
XLogP3.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 107980577) is 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MNMLSSAFIXHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3O2/c1-5-14-15-10(17-5)13-9(16)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H,13,15,16).
What are the key properties of 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 360.99 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 107980577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).