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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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethynyl]-2,4-dimethyl-1,3-oxazole
CID 167782630
3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
CID 45118060
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
CID 164684649
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
CID 101459550
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-[5-(3,4-dimethoxyphenyl)-3-methylfuran-2-yl]-2-methoxyphenol
CID 143935869
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
CID 19585869

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).