3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol

C16H13NO2S — CID 104590242

IUPAC3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C16H13NO2S/c18-14-7-4-8-15(10-14)20-11-13-9-16(19-17-13)12-5-2-1-3-6-12/h1-10,18H,11H2
InChIKeyWGDWHXZIRUFODW-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.34
Rot. Bonds4

About 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol

3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol (PubChem CID 104590242) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
PubChem CID104590242
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C16H13NO2S/c18-14-7-4-8-15(10-14)20-11-13-9-16(19-17-13)12-5-2-1-3-6-12/h1-10,18H,11H2
InChIKeyWGDWHXZIRUFODW-UHFFFAOYSA-N
XLogP4.34
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol (CID 104590242) is 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol is Oc1cccc(SCc2cc(-c3ccccc3)on2)c1.
What is the InChIKey of 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The InChIKey is WGDWHXZIRUFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-14-7-4-8-15(10-14)20-11-13-9-16(19-17-13)12-5-2-1-3-6-12/h1-10,18H,11H2.
What are the key properties of 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol has a molecular weight of 283.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).