5-benzylsulfanyl-3-phenyl-1,2-oxazole

C16H13NOS — CID 563748

IUPAC5-benzylsulfanyl-3-phenyl-1,2-oxazole
SMILESc1ccc(CSc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyTZGSQRNPJUQWND-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.63
Rot. Bonds4

About 5-benzylsulfanyl-3-phenyl-1,2-oxazole

5-benzylsulfanyl-3-phenyl-1,2-oxazole (PubChem CID 563748) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-benzylsulfanyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-benzylsulfanyl-3-phenyl-1,2-oxazole
PubChem CID563748
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name5-benzylsulfanyl-3-phenyl-1,2-oxazole
SMILESc1ccc(CSc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyTZGSQRNPJUQWND-UHFFFAOYSA-N
XLogP4.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-3-phenyl-1,2-oxazole?
The IUPAC name of 5-benzylsulfanyl-3-phenyl-1,2-oxazole (CID 563748) is 5-benzylsulfanyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-benzylsulfanyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-benzylsulfanyl-3-phenyl-1,2-oxazole is c1ccc(CSc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-benzylsulfanyl-3-phenyl-1,2-oxazole?
The InChIKey is TZGSQRNPJUQWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 5-benzylsulfanyl-3-phenyl-1,2-oxazole?
5-benzylsulfanyl-3-phenyl-1,2-oxazole has a molecular weight of 267.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 563748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).