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

C19H19ClN2O — CID 56661945

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline
SMILESCC(C)N(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-14(2)22(16-8-4-3-5-9-16)12-15-13-23-19(21-15)17-10-6-7-11-18(17)20/h3-11,13-14H,12H2,1-2H3
InChIKeyTUXLWINNCOGLTR-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.41
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline (PubChem CID 56661945) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline
PubChem CID56661945
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline
SMILESCC(C)N(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-14(2)22(16-8-4-3-5-9-16)12-15-13-23-19(21-15)17-10-6-7-11-18(17)20/h3-11,13-14H,12H2,1-2H3
InChIKeyTUXLWINNCOGLTR-UHFFFAOYSA-N
XLogP5.41
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline (CID 56661945) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline is CC(C)N(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline?
The InChIKey is TUXLWINNCOGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-14(2)22(16-8-4-3-5-9-16)12-15-13-23-19(21-15)17-10-6-7-11-18(17)20/h3-11,13-14H,12H2,1-2H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline has a molecular weight of 326.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 56661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).