2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole

C15H13NO2 — CID 773068

IUPAC2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1
InChIInChI=1S/C15H13NO2/c1-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
InChIKeyVJDKBYXMDBYDFG-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.81
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole

2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 773068) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole
PubChem CID773068
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1
InChIInChI=1S/C15H13NO2/c1-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
InChIKeyVJDKBYXMDBYDFG-UHFFFAOYSA-N
XLogP3.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole (CID 773068) is 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole is COc1ccc(-c2nc3cc(C)ccc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is VJDKBYXMDBYDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole?
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 239.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 773068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).