5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole

C18H19NO2 — CID 59544955

IUPAC5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
SMILESCOc1ccc(C2=NOC(C)(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19-21-18)15-8-10-16(20-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyJUGVDARENWRWOL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.82
Rot. Bonds4

About 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole

5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole (PubChem CID 59544955) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
PubChem CID59544955
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
SMILESCOc1ccc(C2=NOC(C)(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19-21-18)15-8-10-16(20-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyJUGVDARENWRWOL-UHFFFAOYSA-N
XLogP3.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole (CID 59544955) is 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole is COc1ccc(C2=NOC(C)(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole?
The InChIKey is JUGVDARENWRWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19-21-18)15-8-10-16(20-2)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole?
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole has a molecular weight of 281.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 59544955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).