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

C15H19BrN2O — CID 81488835

IUPACN-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2nc(CNC(C)(C)C)co2)cc1Br
InChIInChI=1S/C15H19BrN2O/c1-10-5-6-11(7-13(10)16)14-18-12(9-19-14)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyUJQOYDIQIFGGJI-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.30
Rot. Bonds3

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

N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 81488835) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID81488835
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2nc(CNC(C)(C)C)co2)cc1Br
InChIInChI=1S/C15H19BrN2O/c1-10-5-6-11(7-13(10)16)14-18-12(9-19-14)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyUJQOYDIQIFGGJI-UHFFFAOYSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 81488835) is N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(-c2nc(CNC(C)(C)C)co2)cc1Br.
What is the InChIKey of N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UJQOYDIQIFGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10-5-6-11(7-13(10)16)14-18-12(9-19-14)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3.
What are the key properties of N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 323.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).