4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

C13H14BrN3O2 — CID 66238041

IUPAC4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H14BrN3O2/c1-15-11-7-18-6-9(11)13-16-12(17-19-13)8-4-2-3-5-10(8)14/h2-5,9,11,15H,6-7H2,1H3
InChIKeyYPNHTPBCOZIYFH-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.20
Rot. Bonds3

About 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (PubChem CID 66238041) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
PubChem CID66238041
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H14BrN3O2/c1-15-11-7-18-6-9(11)13-16-12(17-19-13)8-4-2-3-5-10(8)14/h2-5,9,11,15H,6-7H2,1H3
InChIKeyYPNHTPBCOZIYFH-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-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

2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcycloheptan-1-amine
CID 63350862
N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104788882
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 81273066
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
4-[5-[4-(methylamino)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888894
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66235822
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535
N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238055

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (CID 66238041) is 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is CNC1COCC1c1nc(-c2ccccc2Br)no1.
What is the InChIKey of 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The InChIKey is YPNHTPBCOZIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15-11-7-18-6-9(11)13-16-12(17-19-13)8-4-2-3-5-10(8)14/h2-5,9,11,15H,6-7H2,1H3.
What are the key properties of 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine has a molecular weight of 324.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).