ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate

C24H30N2O6 — CID 92592807

IUPACethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(Cc2cc(-c3ccc(OC)cc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H30N2O6/c1-3-30-23(28)24(11-5-12-26(16-24)22(27)21-6-4-13-31-21)15-19-14-20(25-32-19)17-7-9-18(29-2)10-8-17/h7-10,14,21H,3-6,11-13,15-16H2,1-2H3/t21-,24-/m0/s1
InChIKeyXAOXEZFXPDPONX-URXFXBBRSA-N
MW442.51 g/mol
LogP3.24
Rot. Bonds7

About ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate

ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate (PubChem CID 92592807) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
PubChem CID92592807
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Nameethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(Cc2cc(-c3ccc(OC)cc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H30N2O6/c1-3-30-23(28)24(11-5-12-26(16-24)22(27)21-6-4-13-31-21)15-19-14-20(25-32-19)17-7-9-18(29-2)10-8-17/h7-10,14,21H,3-6,11-13,15-16H2,1-2H3/t21-,24-/m0/s1
InChIKeyXAOXEZFXPDPONX-URXFXBBRSA-N
XLogP3.24
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803
ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110242680
ethyl 3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110242675
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791
ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylate
CID 25298390
ethyl 1-(cyclopropanecarbonyl)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 110234225
(3R)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 95854665
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974085
ethyl 3-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110215383
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate (CID 92592807) is ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@]1(Cc2cc(-c3ccc(OC)cc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is XAOXEZFXPDPONX-URXFXBBRSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-3-30-23(28)24(11-5-12-26(16-24)22(27)21-6-4-13-31-21)15-19-14-20(25-32-19)17-7-9-18(29-2)10-8-17/h7-10,14,21H,3-6,11-13,15-16H2,1-2H3/t21-,24-/m0/s1.
What are the key properties of ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate?
ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 92592807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).