(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C16H23NO2S — CID 10902460

IUPAC(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)(C)C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C16H23NO2S/c1-11(2)14-10-19-15(17-14)16(4,5)20(18)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3/t14-,20+/m1/s1
InChIKeyOCWQFPOKOYMZEI-VLIAUNLRSA-N
MW293.43 g/mol
LogP3.33
Rot. Bonds4

About (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10902460) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10902460
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)(C)C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C16H23NO2S/c1-11(2)14-10-19-15(17-14)16(4,5)20(18)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3/t14-,20+/m1/s1
InChIKeyOCWQFPOKOYMZEI-VLIAUNLRSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
Tosyloxazoline
CID 22170067
3-(4-Methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845601
(3S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845999
(5S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134846297
4,4-dimethyl-2-(p-tolylsulfinylmethyl)-5H-oxazole
CID 342715
(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10515842
(4S)-2-[(4-methylphenyl)sulfanylmethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10824532
(4S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10825597
(4S)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 10881369
(4S)-4-benzyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 10903968
(4S)-4-benzyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
CID 10935912

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 10902460) is (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)C(C)(C)C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is OCWQFPOKOYMZEI-VLIAUNLRSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11(2)14-10-19-15(17-14)16(4,5)20(18)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3/t14-,20+/m1/s1.
What are the key properties of (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 293.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10902460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).