2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole

C20H19NO2S — CID 43834769

IUPAC2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(SCC3CCCO3)oc2-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-3-8-15(9-4-1)18-19(16-10-5-2-6-11-16)23-20(21-18)24-14-17-12-7-13-22-17/h1-6,8-11,17H,7,12-14H2
InChIKeyYLVVDOZLECTXCK-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.28
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole

2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 43834769) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
PubChem CID43834769
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(SCC3CCCO3)oc2-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-3-8-15(9-4-1)18-19(16-10-5-2-6-11-16)23-20(21-18)24-14-17-12-7-13-22-17/h1-6,8-11,17H,7,12-14H2
InChIKeyYLVVDOZLECTXCK-UHFFFAOYSA-N
XLogP5.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 60514070
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
CID 1289611
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 95300425
[4-[(2S,4R,6S)-2-[4-(aminomethyl)phenyl]-6-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxan-4-yl]phenyl]methanol
CID 6698421
4,5-diphenyl-2-(pyridin-4-ylmethylsulfanyl)-1,3-oxazole
CID 27162221
4,5-diphenyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-oxazole
CID 134066741
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 5037309
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole (CID 43834769) is 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole is c1ccc(-c2nc(SCC3CCCO3)oc2-c2ccccc2)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is YLVVDOZLECTXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-3-8-15(9-4-1)18-19(16-10-5-2-6-11-16)23-20(21-18)24-14-17-12-7-13-22-17/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole?
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 337.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 43834769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).