4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline

C19H20N2O — CID 11842385

IUPAC4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline
SMILESCc1ccc(NC(Cc2cc(C)no2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)20-19(16-6-4-3-5-7-16)13-18-12-15(2)21-22-18/h3-12,19-20H,13H2,1-2H3
InChIKeyUALGBQLSXAVNHJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.69
Rot. Bonds5

About 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline

4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline (PubChem CID 11842385) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline
PubChem CID11842385
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline
SMILESCc1ccc(NC(Cc2cc(C)no2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)20-19(16-6-4-3-5-7-16)13-18-12-15(2)21-22-18/h3-12,19-20H,13H2,1-2H3
InChIKeyUALGBQLSXAVNHJ-UHFFFAOYSA-N
XLogP4.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline (CID 11842385) is 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline is Cc1ccc(NC(Cc2cc(C)no2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline?
The InChIKey is UALGBQLSXAVNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)20-19(16-6-4-3-5-7-16)13-18-12-15(2)21-22-18/h3-12,19-20H,13H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline?
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline has a molecular weight of 292.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethyl]aniline is sourced from PubChem (CID 11842385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).