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

C10H8BrN3O2 — CID 11097996

IUPAC2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2Br)no1
InChIInChI=1S/C10H8BrN3O2/c1-6-12-10(14-16-6)13-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14,15)
InChIKeySKOHNBBJFOVHOY-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.39
Rot. Bonds2

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

2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 11097996) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID11097996
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2Br)no1
InChIInChI=1S/C10H8BrN3O2/c1-6-12-10(14-16-6)13-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14,15)
InChIKeySKOHNBBJFOVHOY-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60659313
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148
2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 4509621
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 11097996) is 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccccc2Br)no1.
What is the InChIKey of 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is SKOHNBBJFOVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-12-10(14-16-6)13-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14,15).
What are the key properties of 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 282.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 11097996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).