3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine

C10H10BrN3O — CID 102218667

IUPAC3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-14(2)10-12-9(13-15-10)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyABZUDWBPUHPFSS-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine

3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine (PubChem CID 102218667) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
PubChem CID102218667
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-14(2)10-12-9(13-15-10)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyABZUDWBPUHPFSS-UHFFFAOYSA-N
XLogP2.57
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
3-(2-bromophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773373
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798669
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55200898
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63350687
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 135572389
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine (CID 102218667) is 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine is CN(C)c1nc(-c2ccccc2Br)no1.
What is the InChIKey of 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ABZUDWBPUHPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-14(2)10-12-9(13-15-10)7-5-3-4-6-8(7)11/h3-6H,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 268.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 102218667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).