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

C12H14N2O — CID 12513330

IUPAC5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1cnc(-c2onc(C)c2C)c(C)c1
InChIInChI=1S/C12H14N2O/c1-7-5-8(2)11(13-6-7)12-9(3)10(4)14-15-12/h5-6H,1-4H3
InChIKeyMZWJNYJEFVXGJI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.97
Rot. Bonds1

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

5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole (PubChem CID 12513330) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole
PubChem CID12513330
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1cnc(-c2onc(C)c2C)c(C)c1
InChIInChI=1S/C12H14N2O/c1-7-5-8(2)11(13-6-7)12-9(3)10(4)14-15-12/h5-6H,1-4H3
InChIKeyMZWJNYJEFVXGJI-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole (CID 12513330) is 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole is Cc1cnc(-c2onc(C)c2C)c(C)c1.
What is the InChIKey of 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole?
The InChIKey is MZWJNYJEFVXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-5-8(2)11(13-6-7)12-9(3)10(4)14-15-12/h5-6H,1-4H3.
What are the key properties of 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole?
5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole has a molecular weight of 202.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-2-pyridinyl)-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 12513330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).