2-benzylsulfanyl-4,5-dihydro-1,3-oxazole

C10H11NOS — CID 14269241

IUPAC2-benzylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CSC2=NCCO2)cc1
InChIInChI=1S/C10H11NOS/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2
InChIKeyNMLUTDRCELSONN-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.31
Rot. Bonds2

About 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole

2-benzylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 14269241) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-benzylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID14269241
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-benzylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CSC2=NCCO2)cc1
InChIInChI=1S/C10H11NOS/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2
InChIKeyNMLUTDRCELSONN-UHFFFAOYSA-N
XLogP2.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole (CID 14269241) is 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole is c1ccc(CSC2=NCCO2)cc1.
What is the InChIKey of 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NMLUTDRCELSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2.
What are the key properties of 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole?
2-benzylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14269241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).