[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C22H29N3O5S — CID 71837492

IUPAC[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-15-4-5-16(2)19(14-15)31(27,28)25-8-6-18(7-9-25)21-23-20(17(3)30-21)22(26)24-10-12-29-13-11-24/h4-5,14,18H,6-13H2,1-3H3
InChIKeyKXMVIOSNIUUDCQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.64
Rot. Bonds4

About [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 71837492) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID71837492
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-15-4-5-16(2)19(14-15)31(27,28)25-8-6-18(7-9-25)21-23-20(17(3)30-21)22(26)24-10-12-29-13-11-24/h4-5,14,18H,6-13H2,1-3H3
InChIKeyKXMVIOSNIUUDCQ-UHFFFAOYSA-N
XLogP2.64
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 71837492) is [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1.
What is the InChIKey of [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is KXMVIOSNIUUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-15-4-5-16(2)19(14-15)31(27,28)25-8-6-18(7-9-25)21-23-20(17(3)30-21)22(26)24-10-12-29-13-11-24/h4-5,14,18H,6-13H2,1-3H3.
What are the key properties of [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 447.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71837492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).