5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole

C14H17NO2 — CID 116869004

IUPAC5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1cc(C)c(-c2cc(C)no2)c(C)c1C
InChIInChI=1S/C14H17NO2/c1-8-6-12(16-5)10(3)11(4)14(8)13-7-9(2)15-17-13/h6-7H,1-5H3
InChIKeyCSVMIDHEEYUERI-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.58
Rot. Bonds2

About 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole

5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole (PubChem CID 116869004) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
PubChem CID116869004
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1cc(C)c(-c2cc(C)no2)c(C)c1C
InChIInChI=1S/C14H17NO2/c1-8-6-12(16-5)10(3)11(4)14(8)13-7-9(2)15-17-13/h6-7H,1-5H3
InChIKeyCSVMIDHEEYUERI-UHFFFAOYSA-N
XLogP3.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
2-(4-methoxy-2,3,6-trimethylphenyl)-4,5-dimethyl-1,3-thiazole
CID 116887692
5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
CID 22729011
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
4-ethyl-5-(4-methoxy-2,3,6-trimethylphenyl)-1,3-oxazol-2-amine
CID 116832119
O-ethyl 2,4-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)benzenecarbothioate
CID 22628432

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole (CID 116869004) is 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole is COc1cc(C)c(-c2cc(C)no2)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is CSVMIDHEEYUERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-6-12(16-5)10(3)11(4)14(8)13-7-9(2)15-17-13/h6-7H,1-5H3.
What are the key properties of 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole?
5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 231.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 116869004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).