2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole

C16H15NOS — CID 14940021

IUPAC2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC(C2=NCCO2)c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyDIZOOAJEWSFKJL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds4

About 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole

2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 14940021) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID14940021
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC(C2=NCCO2)c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyDIZOOAJEWSFKJL-UHFFFAOYSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-2-phenyl-5-((phenylthio)methyl)oxazole
CID 13835947
2-(2-Benzylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 85979364
5-[(4-Fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 102134858
2-[[4-(Trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 102423350
2-Cyclohexyl-5-[(4-fluorophenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazole
CID 177512769
(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 139730472
(4S)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 139730479
(1S)-2-[10-(2-phenylethoxy)decoxy]-1-phenylsulfanylethanamine
CID 155416064
(4S)-4-benzyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
CID 10935912
(4S)-4-benzyl-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 10936328
(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 11056095
4-Methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 12966588

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole (CID 14940021) is 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole is c1ccc(SC(C2=NCCO2)c2ccccc2)cc1.
What is the InChIKey of 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DIZOOAJEWSFKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole?
2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 269.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14940021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).