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

C18H22N2O4S — CID 2741118

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-4-6-15(7-5-12)17(21)16-8-10-20(11-9-16)25(22,23)18-13(2)19-24-14(18)3/h4-7,16H,8-11H2,1-3H3
InChIKeyLEECGZRWMLMCOM-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.88
Rot. Bonds4

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 2741118) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID2741118
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-4-6-15(7-5-12)17(21)16-8-10-20(11-9-16)25(22,23)18-13(2)19-24-14(18)3/h4-7,16H,8-11H2,1-3H3
InChIKeyLEECGZRWMLMCOM-UHFFFAOYSA-N
XLogP2.88
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 2741118) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is LEECGZRWMLMCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-4-6-15(7-5-12)17(21)16-8-10-20(11-9-16)25(22,23)18-13(2)19-24-14(18)3/h4-7,16H,8-11H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 362.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 2741118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).