[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C15H13BrN4O — CID 81091063

IUPAC[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(Cc3ccc(Br)cc3)no2)nc1
InChIInChI=1S/C15H13BrN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2
InChIKeyVFIDIMLAAJXIAN-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.94
Rot. Bonds4

About [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81091063) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81091063
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(Cc3ccc(Br)cc3)no2)nc1
InChIInChI=1S/C15H13BrN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2
InChIKeyVFIDIMLAAJXIAN-UHFFFAOYSA-N
XLogP2.94
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]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

[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81098491
[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81100662
[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091119
[6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 103146171
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43152172
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072267
4-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 63187882
(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 93259640
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81099704

Frequently Asked Questions

What is the IUPAC name of [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81091063) is [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is NCc1ccc(-c2nc(Cc3ccc(Br)cc3)no2)nc1.
What is the InChIKey of [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is VFIDIMLAAJXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2.
What are the key properties of [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 345.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81091063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).