4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

C17H14N2O2S — CID 870167

IUPAC4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCSc1ccccc1/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C17H14N2O2S/c1-22-15-10-6-5-9-13(15)18-11-14-17(20)21-16(19-14)12-7-3-2-4-8-12/h2-11,20H,1H3/b18-11+
InChIKeyNAFBKLZPZGSDOA-WOJGMQOQSA-N
MW310.38 g/mol
LogP4.52
Rot. Bonds4

About 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 870167) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID870167
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCSc1ccccc1/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C17H14N2O2S/c1-22-15-10-6-5-9-13(15)18-11-14-17(20)21-16(19-14)12-7-3-2-4-8-12/h2-11,20H,1H3/b18-11+
InChIKeyNAFBKLZPZGSDOA-WOJGMQOQSA-N
XLogP4.52
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (CID 870167) is 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is CSc1ccccc1/N=C/c1nc(-c2ccccc2)oc1O.
What is the InChIKey of 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is NAFBKLZPZGSDOA-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-22-15-10-6-5-9-13(15)18-11-14-17(20)21-16(19-14)12-7-3-2-4-8-12/h2-11,20H,1H3/b18-11+.
What are the key properties of 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 310.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylsulfanylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 870167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).