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

C11H12N2O — CID 71396998

IUPAC3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1ccnc(-c2onc(C)c2C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-5-12-10(6-7)11-8(2)9(3)13-14-11/h4-6H,1-3H3
InChIKeyCNYVKJFDWHUWEH-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.66
Rot. Bonds1

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

3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole (PubChem CID 71396998) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole
PubChem CID71396998
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1ccnc(-c2onc(C)c2C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-5-12-10(6-7)11-8(2)9(3)13-14-11/h4-6H,1-3H3
InChIKeyCNYVKJFDWHUWEH-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole (CID 71396998) is 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole is Cc1ccnc(-c2onc(C)c2C)c1.
What is the InChIKey of 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole?
The InChIKey is CNYVKJFDWHUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-5-12-10(6-7)11-8(2)9(3)13-14-11/h4-6H,1-3H3.
What are the key properties of 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole?
3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole has a molecular weight of 188.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(4-methyl-2-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 71396998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).