methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate

C18H22N2O5 — CID 75395841

IUPACmethyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate
SMILESCCc1ocnc1C(=O)N1CCC(Cc2occc2C(=O)OC)CC1
InChIInChI=1S/C18H22N2O5/c1-3-14-16(19-11-25-14)17(21)20-7-4-12(5-8-20)10-15-13(6-9-24-15)18(22)23-2/h6,9,11-12H,3-5,7-8,10H2,1-2H3
InChIKeyLSIDSQBEQIELII-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate

methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate (PubChem CID 75395841) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate
PubChem CID75395841
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate
SMILESCCc1ocnc1C(=O)N1CCC(Cc2occc2C(=O)OC)CC1
InChIInChI=1S/C18H22N2O5/c1-3-14-16(19-11-25-14)17(21)20-7-4-12(5-8-20)10-15-13(6-9-24-15)18(22)23-2/h6,9,11-12H,3-5,7-8,10H2,1-2H3
InChIKeyLSIDSQBEQIELII-UHFFFAOYSA-N
XLogP2.71
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate (CID 75395841) is methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate is CCc1ocnc1C(=O)N1CCC(Cc2occc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate?
The InChIKey is LSIDSQBEQIELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-14-16(19-11-25-14)17(21)20-7-4-12(5-8-20)10-15-13(6-9-24-15)18(22)23-2/h6,9,11-12H,3-5,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate?
methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 75395841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).