N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine

C13H16BrN3O — CID 113377727

IUPACN-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCNCc1coc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H16BrN3O/c1-15-7-12-9-18-13(16-12)17(2)8-10-4-3-5-11(14)6-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyUAMDOYCKLHFIRI-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.79
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine

N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine (PubChem CID 113377727) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
PubChem CID113377727
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCNCc1coc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H16BrN3O/c1-15-7-12-9-18-13(16-12)17(2)8-10-4-3-5-11(14)6-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyUAMDOYCKLHFIRI-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
N-[(3-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61415968
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine
CID 113377629
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
CID 105417545
1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
CID 84662978
5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185731
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine (CID 113377727) is N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine is CNCc1coc(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The InChIKey is UAMDOYCKLHFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-15-7-12-9-18-13(16-12)17(2)8-10-4-3-5-11(14)6-10/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine has a molecular weight of 310.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 113377727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).