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

C16H12N2O2S — CID 137235106

IUPAC2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C16H12N2O2S/c19-16-14(10-17-12-6-8-13(21)9-7-12)18-15(20-16)11-4-2-1-3-5-11/h1-10,19,21H/b17-10+
InChIKeyUNGIXTMJTFDJPK-LICLKQGHSA-N
MW296.35 g/mol
LogP4.09
Rot. Bonds3

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

2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 137235106) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID137235106
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C16H12N2O2S/c19-16-14(10-17-12-6-8-13(21)9-7-12)18-15(20-16)11-4-2-1-3-5-11/h1-10,19,21H/b17-10+
InChIKeyUNGIXTMJTFDJPK-LICLKQGHSA-N
XLogP4.09
TPSA58.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol (CID 137235106) is 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(S)cc1.
What is the InChIKey of 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is UNGIXTMJTFDJPK-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-16-14(10-17-12-6-8-13(21)9-7-12)18-15(20-16)11-4-2-1-3-5-11/h1-10,19,21H/b17-10+.
What are the key properties of 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol?
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 296.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 137235106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).