2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole

C14H16N2O3S2 — CID 56791969

IUPAC2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)co1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)21(17,18)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyQWASTKORXWLTGG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole

2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole (PubChem CID 56791969) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
PubChem CID56791969
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)co1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)21(17,18)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyQWASTKORXWLTGG-UHFFFAOYSA-N
XLogP2.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974771
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
CID 122330537
3-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992578
N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122335682
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 121021163
2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348865
4-methyl-2-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122269025
4-[4-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122345276
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole (CID 56791969) is 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)co1.
What is the InChIKey of 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole?
The InChIKey is QWASTKORXWLTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)21(17,18)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole?
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole has a molecular weight of 324.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 56791969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).