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

C11H12N2O2 — CID 58016433

IUPAC4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2c(C)noc2C)cn1
InChIInChI=1S/C11H12N2O2/c1-7-11(8(2)15-13-7)9-4-5-10(14-3)12-6-9/h4-6H,1-3H3
InChIKeyREPYGOAWXJACGZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.36
Rot. Bonds2

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

4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 58016433) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
PubChem CID58016433
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2c(C)noc2C)cn1
InChIInChI=1S/C11H12N2O2/c1-7-11(8(2)15-13-7)9-4-5-10(14-3)12-6-9/h4-6H,1-3H3
InChIKeyREPYGOAWXJACGZ-UHFFFAOYSA-N
XLogP2.36
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole (CID 58016433) is 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2c(C)noc2C)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is REPYGOAWXJACGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-11(8(2)15-13-7)9-4-5-10(14-3)12-6-9/h4-6H,1-3H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole?
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 204.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 58016433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).