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

C24H30N2O5 — CID 110242680

IUPACethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C24H30N2O5/c1-3-29-23(28)24(11-7-12-26(16-24)22(27)21-10-6-13-30-21)15-18-14-20(25-31-18)19-9-5-4-8-17(19)2/h4-5,8-9,14,21H,3,6-7,10-13,15-16H2,1-2H3
InChIKeyQHPNOKLNXIJLCH-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.54
Rot. Bonds6

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

ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate (PubChem CID 110242680) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
PubChem CID110242680
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nameethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C24H30N2O5/c1-3-29-23(28)24(11-7-12-26(16-24)22(27)21-10-6-13-30-21)15-18-14-20(25-31-18)19-9-5-4-8-17(19)2/h4-5,8-9,14,21H,3,6-7,10-13,15-16H2,1-2H3
InChIKeyQHPNOKLNXIJLCH-UHFFFAOYSA-N
XLogP3.54
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110242675
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803
ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592807
ethyl 1-(cyclopropanecarbonyl)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 110234225
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853601
ethyl 3-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110215383
ethyl 3-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234241
ethyl (3S)-3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(3-methylimidazol-4-yl)methyl]piperidine-3-carboxylate
CID 95853664
ethyl 3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate (CID 110242680) is ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)C2CCCO2)C1.
What is the InChIKey of ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is QHPNOKLNXIJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-3-29-23(28)24(11-7-12-26(16-24)22(27)21-10-6-13-30-21)15-18-14-20(25-31-18)19-9-5-4-8-17(19)2/h4-5,8-9,14,21H,3,6-7,10-13,15-16H2,1-2H3.
What are the key properties of ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 426.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 110242680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).