5,6-dimethoxy-2-phenyl-1,3-benzoxazole

C15H13NO3 — CID 23031907

IUPAC5,6-dimethoxy-2-phenyl-1,3-benzoxazole
SMILESCOc1cc2nc(-c3ccccc3)oc2cc1OC
InChIInChI=1S/C15H13NO3/c1-17-13-8-11-12(9-14(13)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMYWILZCLOJFWSO-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.51
Rot. Bonds3

About 5,6-dimethoxy-2-phenyl-1,3-benzoxazole

5,6-dimethoxy-2-phenyl-1,3-benzoxazole (PubChem CID 23031907) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5,6-dimethoxy-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-phenyl-1,3-benzoxazole
PubChem CID23031907
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5,6-dimethoxy-2-phenyl-1,3-benzoxazole
SMILESCOc1cc2nc(-c3ccccc3)oc2cc1OC
InChIInChI=1S/C15H13NO3/c1-17-13-8-11-12(9-14(13)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMYWILZCLOJFWSO-UHFFFAOYSA-N
XLogP3.51
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5,6-dimethoxy-2-phenyl-1,3-benzoxazole (CID 23031907) is 5,6-dimethoxy-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5,6-dimethoxy-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5,6-dimethoxy-2-phenyl-1,3-benzoxazole is COc1cc2nc(-c3ccccc3)oc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-phenyl-1,3-benzoxazole?
The InChIKey is MYWILZCLOJFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-17-13-8-11-12(9-14(13)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-phenyl-1,3-benzoxazole?
5,6-dimethoxy-2-phenyl-1,3-benzoxazole has a molecular weight of 255.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 23031907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).