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

C15H11NO3 — CID 155523412

IUPAC5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde
SMILESCc1ccccc1-c1nc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C15H11NO3/c1-9-4-2-3-5-10(9)15-16-14-11(8-17)12(18)6-7-13(14)19-15/h2-8,18H,1H3
InChIKeyRBPWEOXBEQCNGB-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.32
Rot. Bonds2

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

5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde (PubChem CID 155523412) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde
PubChem CID155523412
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde
SMILESCc1ccccc1-c1nc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C15H11NO3/c1-9-4-2-3-5-10(9)15-16-14-11(8-17)12(18)6-7-13(14)19-15/h2-8,18H,1H3
InChIKeyRBPWEOXBEQCNGB-UHFFFAOYSA-N
XLogP3.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylphenyl)-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde (CID 155523412) is 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde is Cc1ccccc1-c1nc2c(C=O)c(O)ccc2o1.
What is the InChIKey of 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is RBPWEOXBEQCNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-4-2-3-5-10(9)15-16-14-11(8-17)12(18)6-7-13(14)19-15/h2-8,18H,1H3.
What are the key properties of 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde?
5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylphenyl)-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 155523412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).