N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline

C19H19BrN2O — CID 56676278

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2coc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C19H19BrN2O/c1-13(2)14-7-9-15(10-8-14)21-11-16-12-23-19(22-16)17-5-3-4-6-18(17)20/h3-10,12-13,21H,11H2,1-2H3
InChIKeyNJWFWWYVHHMPKL-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.84
Rot. Bonds5

About N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline (PubChem CID 56676278) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
PubChem CID56676278
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2coc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C19H19BrN2O/c1-13(2)14-7-9-15(10-8-14)21-11-16-12-23-19(22-16)17-5-3-4-6-18(17)20/h3-10,12-13,21H,11H2,1-2H3
InChIKeyNJWFWWYVHHMPKL-UHFFFAOYSA-N
XLogP5.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline (CID 56676278) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NCc2coc(-c3ccccc3Br)n2)cc1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The InChIKey is NJWFWWYVHHMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-13(2)14-7-9-15(10-8-14)21-11-16-12-23-19(22-16)17-5-3-4-6-18(17)20/h3-10,12-13,21H,11H2,1-2H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline has a molecular weight of 371.28 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 56676278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).