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

C16H25N3O5S — CID 42928364

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)CC1
InChIInChI=1S/C16H25N3O5S/c1-11-10-18(8-9-23-11)16(20)14-4-6-19(7-5-14)25(21,22)15-12(2)17-24-13(15)3/h11,14H,4-10H2,1-3H3
InChIKeyHOOZWMDKMJOCNN-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.94
Rot. Bonds3

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 42928364) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID42928364
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)CC1
InChIInChI=1S/C16H25N3O5S/c1-11-10-18(8-9-23-11)16(20)14-4-6-19(7-5-14)25(21,22)15-12(2)17-24-13(15)3/h11,14H,4-10H2,1-3H3
InChIKeyHOOZWMDKMJOCNN-UHFFFAOYSA-N
XLogP0.94
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone with MolForge

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487512
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 110335350
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55451559
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
(5-methyl-2-oxooxolan-3-yl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 55427377

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 42928364) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)CC1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is HOOZWMDKMJOCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-11-10-18(8-9-23-11)16(20)14-4-6-19(7-5-14)25(21,22)15-12(2)17-24-13(15)3/h11,14H,4-10H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 42928364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).