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

C13H14BrClN2O — CID 65287897

IUPACN-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN2O/c1-8(2)16-6-10-7-18-13(17-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyDONIYDZCRRWRAW-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.26
Rot. Bonds4

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

N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 65287897) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID65287897
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC NameN-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN2O/c1-8(2)16-6-10-7-18-13(17-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyDONIYDZCRRWRAW-UHFFFAOYSA-N
XLogP4.26
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 65287897) is N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1coc(-c2ccc(Br)cc2Cl)n1.
What is the InChIKey of N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is DONIYDZCRRWRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8(2)16-6-10-7-18-13(17-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 329.63 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65287897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).