(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone

C20H25FN2O3 — CID 155992709

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H](OC)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O3/c1-4-16-19(13(2)26-22-16)20(24)23-10-6-9-18(25-3)17(23)12-14-7-5-8-15(21)11-14/h5,7-8,11,17-18H,4,6,9-10,12H2,1-3H3/t17-,18-/m0/s1
InChIKeyGVDJXIAYDWXHJJ-ROUUACIJSA-N
MW360.43 g/mol
LogP3.55
Rot. Bonds5

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone (PubChem CID 155992709) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone
PubChem CID155992709
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H](OC)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O3/c1-4-16-19(13(2)26-22-16)20(24)23-10-6-9-18(25-3)17(23)12-14-7-5-8-15(21)11-14/h5,7-8,11,17-18H,4,6,9-10,12H2,1-3H3/t17-,18-/m0/s1
InChIKeyGVDJXIAYDWXHJJ-ROUUACIJSA-N
XLogP3.55
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 42402755
[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 167796514
2-(3-fluorophenyl)-1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97391881
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
N-[[6-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124994748
methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137469744
5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008686
(3-ethyl-1-methylpyrazol-5-yl)-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 136558207

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone (CID 155992709) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC[C@H](OC)[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone?
The InChIKey is GVDJXIAYDWXHJJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-4-16-19(13(2)26-22-16)20(24)23-10-6-9-18(25-3)17(23)12-14-7-5-8-15(21)11-14/h5,7-8,11,17-18H,4,6,9-10,12H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone has a molecular weight of 360.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,3S)-2-[(3-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 155992709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).