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

C17H17NOS — CID 14853176

IUPAC2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCSc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c1-2-20-16-11-7-6-10-14(16)17-18-15(12-19-17)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3
InChIKeyHFDXVJBBPPQMAT-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.32
Rot. Bonds4

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

2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 14853176) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID14853176
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCSc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c1-2-20-16-11-7-6-10-14(16)17-18-15(12-19-17)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3
InChIKeyHFDXVJBBPPQMAT-UHFFFAOYSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 14853176) is 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is CCSc1ccccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is HFDXVJBBPPQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-20-16-11-7-6-10-14(16)17-18-15(12-19-17)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 283.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).