2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole

C10H11NOS — CID 19827197

IUPAC2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccccc1C1=NCCO1
InChIInChI=1S/C10H11NOS/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyJSEHNJFUJCVGHW-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.19
Rot. Bonds2

About 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole

2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19827197) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID19827197
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccccc1C1=NCCO1
InChIInChI=1S/C10H11NOS/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyJSEHNJFUJCVGHW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole (CID 19827197) is 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole is CSc1ccccc1C1=NCCO1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JSEHNJFUJCVGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 193.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19827197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).