5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole

C13H15NO3 — CID 116868995

IUPAC5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1cc(C)c(-c2cc(C)no2)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-8-5-10(15-3)7-11(16-4)13(8)12-6-9(2)14-17-12/h5-7H,1-4H3
InChIKeyFXXKUMIHXGLHPN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.98
Rot. Bonds3

About 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole

5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole (PubChem CID 116868995) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
PubChem CID116868995
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1cc(C)c(-c2cc(C)no2)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-8-5-10(15-3)7-11(16-4)13(8)12-6-9(2)14-17-12/h5-7H,1-4H3
InChIKeyFXXKUMIHXGLHPN-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-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
CID 116869004
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832415
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 13237457
2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
CID 116897316
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
4-(2,4-dimethoxy-6-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831957
2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
CID 135912239
5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
CID 22729011
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole (CID 116868995) is 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole is COc1cc(C)c(-c2cc(C)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is FXXKUMIHXGLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-10(15-3)7-11(16-4)13(8)12-6-9(2)14-17-12/h5-7H,1-4H3.
What are the key properties of 5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole?
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-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-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 116868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).