4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol

C20H14N2O2 — CID 916155

IUPAC4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-20-18(22-19(24-20)15-8-2-1-3-9-15)13-21-17-12-6-10-14-7-4-5-11-16(14)17/h1-13,23H/b21-13+
InChIKeyKXHHCQOZNPUQAB-FYJGNVAPSA-N
MW314.34 g/mol
LogP4.95
Rot. Bonds3

About 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol

4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol (PubChem CID 916155) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol
PubChem CID916155
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-20-18(22-19(24-20)15-8-2-1-3-9-15)13-21-17-12-6-10-14-7-4-5-11-16(14)17/h1-13,23H/b21-13+
InChIKeyKXHHCQOZNPUQAB-FYJGNVAPSA-N
XLogP4.95
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol (CID 916155) is 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/c1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is KXHHCQOZNPUQAB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20-18(22-19(24-20)15-8-2-1-3-9-15)13-21-17-12-6-10-14-7-4-5-11-16(14)17/h1-13,23H/b21-13+.
What are the key properties of 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 314.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-yliminomethyl)-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 916155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).