2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline

C11H12N2O — CID 134480266

IUPAC2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
SMILESCc1cc(-c2cnco2)cc(C)c1N
InChIInChI=1S/C11H12N2O/c1-7-3-9(4-8(2)11(7)12)10-5-13-6-14-10/h3-6H,12H2,1-2H3
InChIKeyQPEBMZIVUDZCTQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

About 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline

2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline (PubChem CID 134480266) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
PubChem CID134480266
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
SMILESCc1cc(-c2cnco2)cc(C)c1N
InChIInChI=1S/C11H12N2O/c1-7-3-9(4-8(2)11(7)12)10-5-13-6-14-10/h3-6H,12H2,1-2H3
InChIKeyQPEBMZIVUDZCTQ-UHFFFAOYSA-N
XLogP2.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline (CID 134480266) is 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline is Cc1cc(-c2cnco2)cc(C)c1N.
What is the InChIKey of 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is QPEBMZIVUDZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-9(4-8(2)11(7)12)10-5-13-6-14-10/h3-6H,12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline?
2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 134480266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).