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

C15H21NO2S — CID 11022278

IUPAC(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO2S/c1-10(2)14-9-18-15(16-14)12(4)19(17)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3/t12?,14-,19-/m1/s1
InChIKeyMZWTVVGOUAYXLM-WHJNKQGSSA-N
MW279.41 g/mol
LogP2.94
Rot. Bonds4

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

(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11022278) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11022278
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)C(C)C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO2S/c1-10(2)14-9-18-15(16-14)12(4)19(17)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3/t12?,14-,19-/m1/s1
InChIKeyMZWTVVGOUAYXLM-WHJNKQGSSA-N
XLogP2.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-propyl-4,5-dihydro-1,3-oxazole
CID 134907557
4,4-dimethyl-2-(p-tolylsulfinylmethyl)-5H-oxazole
CID 342715
4-(4-Methylphenyl)sulfonyl-4,5-dihydrooxazole
CID 45358362
N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine
CID 59392278
5-(4-methylsulfonylphenyl)-3-[[(2S)-thiolan-2-yl]methoxy]-2H-pyrazin-4-ium
CID 156650232
N-[2-(4-methylphenyl)sulfonylethyl]cyclopentanimine
CID 169972626
(4S)-4-tert-butyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 9992269

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11022278) is (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)C(C)C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is MZWTVVGOUAYXLM-WHJNKQGSSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10(2)14-9-18-15(16-14)12(4)19(17)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3/t12?,14-,19-/m1/s1.
What are the key properties of (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 279.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11022278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).