3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline

C13H16N2O — CID 115885071

IUPAC3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
SMILESCc1cnc(-c2cccc(NC(C)C)c2)o1
InChIInChI=1S/C13H16N2O/c1-9(2)15-12-6-4-5-11(7-12)13-14-8-10(3)16-13/h4-9,15H,1-3H3
InChIKeyGXLGZNJAYGXVGG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds3

About 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline

3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline (PubChem CID 115885071) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
PubChem CID115885071
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
SMILESCc1cnc(-c2cccc(NC(C)C)c2)o1
InChIInChI=1S/C13H16N2O/c1-9(2)15-12-6-4-5-11(7-12)13-14-8-10(3)16-13/h4-9,15H,1-3H3
InChIKeyGXLGZNJAYGXVGG-UHFFFAOYSA-N
XLogP3.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline?
The IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline (CID 115885071) is 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline?
The canonical SMILES for 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline is Cc1cnc(-c2cccc(NC(C)C)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline?
The InChIKey is GXLGZNJAYGXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)15-12-6-4-5-11(7-12)13-14-8-10(3)16-13/h4-9,15H,1-3H3.
What are the key properties of 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline?
3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline has a molecular weight of 216.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 115885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).