5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde

C18H11NO3 — CID 155511013

IUPAC5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H11NO3/c20-10-14-15(21)8-9-16-17(14)19-18(22-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,21H
InChIKeyJTZOULCSERHWEM-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.17
Rot. Bonds2

About 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde

5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde (PubChem CID 155511013) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
PubChem CID155511013
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H11NO3/c20-10-14-15(21)8-9-16-17(14)19-18(22-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,21H
InChIKeyJTZOULCSERHWEM-UHFFFAOYSA-N
XLogP4.17
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.17
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-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde (CID 155511013) is 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde is O=Cc1c(O)ccc2oc(-c3cccc4ccccc34)nc12.
What is the InChIKey of 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is JTZOULCSERHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c20-10-14-15(21)8-9-16-17(14)19-18(22-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,21H.
What are the key properties of 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde?
5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 289.29 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 155511013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).