4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine

C17H22N2O4S — CID 110327408

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
SMILESCc1noc(C)c1S(=O)(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H22N2O4S/c1-12-16(13(2)23-18-12)24(20,21)19-10-15(22-11-17(19,3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3
InChIKeySOCKCEQPOWEHJR-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.83
Rot. Bonds3

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine (PubChem CID 110327408) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
PubChem CID110327408
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
SMILESCc1noc(C)c1S(=O)(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H22N2O4S/c1-12-16(13(2)23-18-12)24(20,21)19-10-15(22-11-17(19,3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3
InChIKeySOCKCEQPOWEHJR-UHFFFAOYSA-N
XLogP2.83
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline
CID 110364286
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 25383119
4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine (CID 110327408) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine is Cc1noc(C)c1S(=O)(=O)N1CC(c2ccccc2)OCC1(C)C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine?
The InChIKey is SOCKCEQPOWEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12-16(13(2)23-18-12)24(20,21)19-10-15(22-11-17(19,3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine has a molecular weight of 350.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine is sourced from PubChem (CID 110327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).