2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole

C12H15NO2S — CID 11085809

IUPAC2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)C2=NCCO2)cc1
InChIInChI=1S/C12H15NO2S/c1-9-3-5-11(6-4-9)16(14)10(2)12-13-7-8-15-12/h3-6,10H,7-8H2,1-2H3/t10?,16-/m1/s1
InChIKeyCPKOTCCQKHSVBP-YRQZNCJOSA-N
MW237.32 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole

2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11085809) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID11085809
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)C2=NCCO2)cc1
InChIInChI=1S/C12H15NO2S/c1-9-3-5-11(6-4-9)16(14)10(2)12-13-7-8-15-12/h3-6,10H,7-8H2,1-2H3/t10?,16-/m1/s1
InChIKeyCPKOTCCQKHSVBP-YRQZNCJOSA-N
XLogP1.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfoxide, 2-morpholinoethyl p-tolyl, hydrochloride
CID 214237
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46837865
(4S,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 11821105
Tosyloxazoline
CID 22170067
4-[2-(4-Methylphenyl)sulfinylethyl]morpholine
CID 214238
5-Methyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 13790861
(4S,5S)-5-tert-butyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 11403281
methyl (1E)-N-[(4-methylphenyl)sulfonylmethyl]ethanimidate
CID 12251440
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-propyl-4,5-dihydro-1,3-oxazole
CID 134907557
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole
CID 134975786
4,4-dimethyl-2-(p-tolylsulfinylmethyl)-5H-oxazole
CID 342715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole (CID 11085809) is 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)C(C)C2=NCCO2)cc1.
What is the InChIKey of 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CPKOTCCQKHSVBP-YRQZNCJOSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9-3-5-11(6-4-9)16(14)10(2)12-13-7-8-15-12/h3-6,10H,7-8H2,1-2H3/t10?,16-/m1/s1.
What are the key properties of 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole?
2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 237.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11085809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).