3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one

C20H26N2O4S — CID 53060145

IUPAC3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O4S/c1-14-7-8-17(20-15(2)16(3)21-26-20)13-18(14)27(24,25)12-9-19(23)22-10-5-4-6-11-22/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyQYOLRSMLKYTNTE-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds5

About 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one (PubChem CID 53060145) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
PubChem CID53060145
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O4S/c1-14-7-8-17(20-15(2)16(3)21-26-20)13-18(14)27(24,25)12-9-19(23)22-10-5-4-6-11-22/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyQYOLRSMLKYTNTE-UHFFFAOYSA-N
XLogP3.44
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-N-(2-methylphenyl)propanamide
CID 53060095
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060127
N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059980
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20935529
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one (CID 53060145) is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1CCCCC1.
What is the InChIKey of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is QYOLRSMLKYTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-7-8-17(20-15(2)16(3)21-26-20)13-18(14)27(24,25)12-9-19(23)22-10-5-4-6-11-22/h7-8,13H,4-6,9-12H2,1-3H3.
What are the key properties of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one?
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 390.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 53060145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).