5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole

C17H16N2O2 — CID 58178258

IUPAC5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccncc2)cc(C)c1C
InChIInChI=1S/C17H16N2O2/c1-11-8-14(9-16(20-3)12(11)2)17-15(10-19-21-17)13-4-6-18-7-5-13/h4-10H,1-3H3
InChIKeyHLZMFCHWPBGEME-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.03
Rot. Bonds3

About 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole

5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole (PubChem CID 58178258) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
PubChem CID58178258
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccncc2)cc(C)c1C
InChIInChI=1S/C17H16N2O2/c1-11-8-14(9-16(20-3)12(11)2)17-15(10-19-21-17)13-4-6-18-7-5-13/h4-10H,1-3H3
InChIKeyHLZMFCHWPBGEME-UHFFFAOYSA-N
XLogP4.03
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole (CID 58178258) is 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole is COc1cc(-c2oncc2-c2ccncc2)cc(C)c1C.
What is the InChIKey of 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole?
The InChIKey is HLZMFCHWPBGEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-8-14(9-16(20-3)12(11)2)17-15(10-19-21-17)13-4-6-18-7-5-13/h4-10H,1-3H3.
What are the key properties of 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole?
5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole has a molecular weight of 280.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 58178258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).