4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine

C13H16N2O2 — CID 116832537

IUPAC4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2c(C)cc(C)cc2OC)co1
InChIInChI=1S/C13H16N2O2/c1-8-5-9(2)12(11(6-8)16-4)10-7-17-13(14-3)15-10/h5-7H,1-4H3,(H,14,15)
InChIKeyKPUJZOXQRJVFMQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.01
Rot. Bonds3

About 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine

4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832537) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832537
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2c(C)cc(C)cc2OC)co1
InChIInChI=1S/C13H16N2O2/c1-8-5-9(2)12(11(6-8)16-4)10-7-17-13(14-3)15-10/h5-7H,1-4H3,(H,14,15)
InChIKeyKPUJZOXQRJVFMQ-UHFFFAOYSA-N
XLogP3.01
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832537) is 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2c(C)cc(C)cc2OC)co1.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is KPUJZOXQRJVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-9(2)12(11(6-8)16-4)10-7-17-13(14-3)15-10/h5-7H,1-4H3,(H,14,15).
What are the key properties of 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine?
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 232.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).