1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C10H10BrN3O — CID 106393956

IUPAC1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1ncon1
InChIInChI=1S/C10H10BrN3O/c11-9-4-2-1-3-8(9)5-12-6-10-13-7-15-14-10/h1-4,7,12H,5-6H2
InChIKeyYFCMKSWJMUDPJE-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106393956) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106393956
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1ncon1
InChIInChI=1S/C10H10BrN3O/c11-9-4-2-1-3-8(9)5-12-6-10-13-7-15-14-10/h1-4,7,12H,5-6H2
InChIKeyYFCMKSWJMUDPJE-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine 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-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182915
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182988
N-[[3-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390668
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
N-(1,2,4-oxadiazol-3-ylmethyl)-3-phenylprop-2-yn-1-amine
CID 106399101
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 106393533
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106393956) is 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Brc1ccccc1CNCc1ncon1.
What is the InChIKey of 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is YFCMKSWJMUDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-9-4-2-1-3-8(9)5-12-6-10-13-7-15-14-10/h1-4,7,12H,5-6H2.
What are the key properties of 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 268.11 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106393956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).