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

C11H13NO2S — CID 10966130

IUPAC2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=NCCO2)cc1
InChIInChI=1S/C11H13NO2S/c1-9-2-4-10(5-3-9)15(13)8-11-12-6-7-14-11/h2-5H,6-8H2,1H3/t15-/m1/s1
InChIKeyRAXDANIXNHPQPR-OAHLLOKOSA-N
MW223.30 g/mol
LogP1.53
Rot. Bonds3

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

2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10966130) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID10966130
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=NCCO2)cc1
InChIInChI=1S/C11H13NO2S/c1-9-2-4-10(5-3-9)15(13)8-11-12-6-7-14-11/h2-5H,6-8H2,1H3/t15-/m1/s1
InChIKeyRAXDANIXNHPQPR-OAHLLOKOSA-N
XLogP1.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-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

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
4-{2-[(4-Methylphenyl)sulfonyl]ethyl}morpholine
CID 253895
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)-5-butyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 134907578

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole (CID 10966130) is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)CC2=NCCO2)cc1.
What is the InChIKey of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RAXDANIXNHPQPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-9-2-4-10(5-3-9)15(13)8-11-12-6-7-14-11/h2-5H,6-8H2,1H3/t15-/m1/s1.
What are the key properties of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 223.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10966130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).