[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H25N3O4 — CID 169410585

IUPAC[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C21H25N3O4/c1-14-18(19(22-28-14)15-7-3-2-4-8-15)21(27)24-12-9-17(25)16(13-24)20(26)23-10-5-6-11-23/h2-4,7-8,16-17,25H,5-6,9-13H2,1H3/t16-,17+/m0/s1
InChIKeyMEJGDWLUFOANOB-DLBZAZTESA-N
MW383.45 g/mol
LogP2.10
Rot. Bonds3

About [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 169410585) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID169410585
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C21H25N3O4/c1-14-18(19(22-28-14)15-7-3-2-4-8-15)21(27)24-12-9-17(25)16(13-24)20(26)23-10-5-6-11-23/h2-4,7-8,16-17,25H,5-6,9-13H2,1H3/t16-,17+/m0/s1
InChIKeyMEJGDWLUFOANOB-DLBZAZTESA-N
XLogP2.10
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 126768949
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 70741594
N,N-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 78779333
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 138806639
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 5129232
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 126780643
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[(1R,6S)-8-(2-phenylpyrimidin-4-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 67116859
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561124

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 169410585) is [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MEJGDWLUFOANOB-DLBZAZTESA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-18(19(22-28-14)15-7-3-2-4-8-15)21(27)24-12-9-17(25)16(13-24)20(26)23-10-5-6-11-23/h2-4,7-8,16-17,25H,5-6,9-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 169410585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).