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

C14H8ClNO3 — CID 155513093

IUPAC2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-2-8(6-9)14-16-13-10(7-17)11(18)4-5-12(13)19-14/h1-7,18H
InChIKeyAHPAFQFEKVHXNF-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.67
Rot. Bonds2

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

2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde (PubChem CID 155513093) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde
PubChem CID155513093
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-2-8(6-9)14-16-13-10(7-17)11(18)4-5-12(13)19-14/h1-7,18H
InChIKeyAHPAFQFEKVHXNF-UHFFFAOYSA-N
XLogP3.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.67
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 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde (CID 155513093) is 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde is O=Cc1c(O)ccc2oc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is AHPAFQFEKVHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-9-3-1-2-8(6-9)14-16-13-10(7-17)11(18)4-5-12(13)19-14/h1-7,18H.
What are the key properties of 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde?
2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 273.68 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-hydroxy-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 155513093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).