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

C20H23N3O2S — CID 86946854

IUPAC[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCCc1csc(C2CCCN(C(=O)C3=NOC(c4ccccc4)C3)C2)n1
InChIInChI=1S/C20H23N3O2S/c1-2-16-13-26-19(21-16)15-9-6-10-23(12-15)20(24)17-11-18(25-22-17)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3
InChIKeyYLUJSNAGNDZHBS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.93
Rot. Bonds4

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

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (PubChem CID 86946854) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
PubChem CID86946854
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCCc1csc(C2CCCN(C(=O)C3=NOC(c4ccccc4)C3)C2)n1
InChIInChI=1S/C20H23N3O2S/c1-2-16-13-26-19(21-16)15-9-6-10-23(12-15)20(24)17-11-18(25-22-17)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3
InChIKeyYLUJSNAGNDZHBS-UHFFFAOYSA-N
XLogP3.93
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86946887
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95767935
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone
CID 86946892
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
CID 122023263

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (CID 86946854) is [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is CCc1csc(C2CCCN(C(=O)C3=NOC(c4ccccc4)C3)C2)n1.
What is the InChIKey of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The InChIKey is YLUJSNAGNDZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-16-13-26-19(21-16)15-9-6-10-23(12-15)20(24)17-11-18(25-22-17)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3.
What are the key properties of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 86946854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).