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

C16H15NOS — CID 14853174

IUPAC2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H15NOS/c1-19-15-10-6-5-9-13(15)16-17-14(11-18-16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyCWXLYGZJGRCNLT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.93
Rot. Bonds3

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

2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 14853174) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID14853174
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H15NOS/c1-19-15-10-6-5-9-13(15)16-17-14(11-18-16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyCWXLYGZJGRCNLT-UHFFFAOYSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.93
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-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 14853174) is 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is CSc1ccccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CWXLYGZJGRCNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-19-15-10-6-5-9-13(15)16-17-14(11-18-16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 269.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).