5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde

C15H11NO4 — CID 155531108

IUPAC5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1nc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C15H11NO4/c1-19-12-5-3-2-4-9(12)15-16-14-10(8-17)11(18)6-7-13(14)20-15/h2-8,18H,1H3
InChIKeySTQDURRMRMTOER-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.02
Rot. Bonds3

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

5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde (PubChem CID 155531108) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde
PubChem CID155531108
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1nc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C15H11NO4/c1-19-12-5-3-2-4-9(12)15-16-14-10(8-17)11(18)6-7-13(14)20-15/h2-8,18H,1H3
InChIKeySTQDURRMRMTOER-UHFFFAOYSA-N
XLogP3.02
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde (CID 155531108) is 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde is COc1ccccc1-c1nc2c(C=O)c(O)ccc2o1.
What is the InChIKey of 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is STQDURRMRMTOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-12-5-3-2-4-9(12)15-16-14-10(8-17)11(18)6-7-13(14)20-15/h2-8,18H,1H3.
What are the key properties of 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde?
5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 269.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methoxyphenyl)-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 155531108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).