2-(3,4-dimethoxyphenyl)-1,3-benzoxazole

C15H13NO3 — CID 2848160

IUPAC2-(3,4-dimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1OC
InChIInChI=1S/C15H13NO3/c1-17-13-8-7-10(9-14(13)18-2)15-16-11-5-3-4-6-12(11)19-15/h3-9H,1-2H3
InChIKeyWMXBQSRSJSTSOW-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.51
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole

2-(3,4-dimethoxyphenyl)-1,3-benzoxazole (PubChem CID 2848160) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-benzoxazole
PubChem CID2848160
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1OC
InChIInChI=1S/C15H13NO3/c1-17-13-8-7-10(9-14(13)18-2)15-16-11-5-3-4-6-12(11)19-15/h3-9H,1-2H3
InChIKeyWMXBQSRSJSTSOW-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 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole (CID 2848160) is 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3ccccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole?
The InChIKey is WMXBQSRSJSTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-17-13-8-7-10(9-14(13)18-2)15-16-11-5-3-4-6-12(11)19-15/h3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole?
2-(3,4-dimethoxyphenyl)-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 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 2848160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).