(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H20N4O4S — CID 127247377

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)on1
InChIInChI=1S/C15H20N4O4S/c1-3-10-8-12(23-18-10)15(20)19-7-5-4-6-11(19)14-13(9-16-17-14)24(2,21)22/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHVFWIOJOCFSSPO-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.73
Rot. Bonds4

About (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 127247377) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID127247377
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)on1
InChIInChI=1S/C15H20N4O4S/c1-3-10-8-12(23-18-10)15(20)19-7-5-4-6-11(19)14-13(9-16-17-14)24(2,21)22/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHVFWIOJOCFSSPO-UHFFFAOYSA-N
XLogP1.73
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127247379
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 155983170
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247313
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110272293
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 127247377) is (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HVFWIOJOCFSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-3-10-8-12(23-18-10)15(20)19-7-5-4-6-11(19)14-13(9-16-17-14)24(2,21)22/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 352.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).