4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole

C11H14N2O — CID 162396736

IUPAC4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)n1
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-9(12-8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3
InChIKeySEBJCUKMJBAPBC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds1

About 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole

4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole (PubChem CID 162396736) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole
PubChem CID162396736
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)n1
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-9(12-8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3
InChIKeySEBJCUKMJBAPBC-UHFFFAOYSA-N
XLogP1.95
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole (CID 162396736) is 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole is Cc1cccc(C2=NC(C)(C)CO2)n1.
What is the InChIKey of 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole?
The InChIKey is SEBJCUKMJBAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-4-6-9(12-8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole is sourced from PubChem (CID 162396736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).