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

C13H15NO3 — CID 13268420

IUPAC5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2oc(C)nc2C)cc1OC
InChIInChI=1S/C13H15NO3/c1-8-13(17-9(2)14-8)10-5-6-11(15-3)12(7-10)16-4/h5-7H,1-4H3
InChIKeyDWJPMDAYOSDCCD-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.98
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole (PubChem CID 13268420) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
PubChem CID13268420
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2oc(C)nc2C)cc1OC
InChIInChI=1S/C13H15NO3/c1-8-13(17-9(2)14-8)10-5-6-11(15-3)12(7-10)16-4/h5-7H,1-4H3
InChIKeyDWJPMDAYOSDCCD-UHFFFAOYSA-N
XLogP2.98
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole (CID 13268420) is 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole is COc1ccc(-c2oc(C)nc2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole?
The InChIKey is DWJPMDAYOSDCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-13(17-9(2)14-8)10-5-6-11(15-3)12(7-10)16-4/h5-7H,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole?
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole has a molecular weight of 233.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 13268420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).