(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone

C13H18N2O4S — CID 71805699

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)10-4-6-15(7-5-10)13(16)11-8-12(19-14-11)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyUIXROBJARFNGJL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.20
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 71805699) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID71805699
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)10-4-6-15(7-5-10)13(16)11-8-12(19-14-11)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyUIXROBJARFNGJL-UHFFFAOYSA-N
XLogP1.20
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 119042721
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone (CID 71805699) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is UIXROBJARFNGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)10-4-6-15(7-5-10)13(16)11-8-12(19-14-11)9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 298.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 71805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).