N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C14H16BrClN2O — CID 81307864

IUPACN-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C14H16BrClN2O/c1-14(2,3)17-7-10-8-19-13(18-10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3
InChIKeyYVDQOGXKSJASCK-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.65
Rot. Bonds3

About N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 81307864) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID81307864
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC NameN-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C14H16BrClN2O/c1-14(2,3)17-7-10-8-19-13(18-10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3
InChIKeyYVDQOGXKSJASCK-UHFFFAOYSA-N
XLogP4.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81307525
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81488835
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65287912
3-[4-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]benzonitrile
CID 65287867
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
N-[[5-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 81307865
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
2-methyl-N-[[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288540
N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 81492186
2-[5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81307819

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 81307864) is N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(-c2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YVDQOGXKSJASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-14(2,3)17-7-10-8-19-13(18-10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 343.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).