2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline

C12H16N2O — CID 12568841

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H16N2O/c1-12(2)8-15-11(14-12)9-6-4-5-7-10(9)13-3/h4-7,13H,8H2,1-3H3
InChIKeyPANBUXDXXUXHJM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.28
Rot. Bonds2

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline (PubChem CID 12568841) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline
PubChem CID12568841
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H16N2O/c1-12(2)8-15-11(14-12)9-6-4-5-7-10(9)13-3/h4-7,13H,8H2,1-3H3
InChIKeyPANBUXDXXUXHJM-UHFFFAOYSA-N
XLogP2.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline (CID 12568841) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline is CNc1ccccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline?
The InChIKey is PANBUXDXXUXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)8-15-11(14-12)9-6-4-5-7-10(9)13-3/h4-7,13H,8H2,1-3H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline has a molecular weight of 204.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline is sourced from PubChem (CID 12568841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).