(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C15H19N3O2S — CID 124987262

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C15H19N3O2S/c1-3-12-13(10(2)20-17-12)15(19)18-7-4-5-11(9-18)14-16-6-8-21-14/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyOEKBKTBTLLLVGC-LLVKDONJSA-N
MW305.40 g/mol
LogP3.02
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124987262) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID124987262
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C15H19N3O2S/c1-3-12-13(10(2)20-17-12)15(19)18-7-4-5-11(9-18)14-16-6-8-21-14/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyOEKBKTBTLLLVGC-LLVKDONJSA-N
XLogP3.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125010254
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124606468
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124978958
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
2-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95178650
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 124987262) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nccs2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OEKBKTBTLLLVGC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-13(10(2)20-17-12)15(19)18-7-4-5-11(9-18)14-16-6-8-21-14/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124987262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).