3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine

C10H10BrN3O — CID 107915493

IUPAC3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccc(C)cc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-6-3-4-7(8(11)5-6)9-13-10(12-2)15-14-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyJVDZQNGTSOCNOG-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.85
Rot. Bonds2

About 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 107915493) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID107915493
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccc(C)cc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-6-3-4-7(8(11)5-6)9-13-10(12-2)15-14-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyJVDZQNGTSOCNOG-UHFFFAOYSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114015509
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114015506
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107915811
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104881067
3-(2-bromo-4-methylphenyl)-5-(1-bromopropyl)-1,2,4-oxadiazole
CID 107915033
N-[[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 114015428
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 107915252
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
3-(2-bromo-4-methylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 114015433
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 107915774
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 107915735

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 107915493) is 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(-c2ccc(C)cc2Br)no1.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is JVDZQNGTSOCNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6-3-4-7(8(11)5-6)9-13-10(12-2)15-14-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 268.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 107915493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).