1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

C22H23N3O5 — CID 55403557

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)o2)cc1
InChIInChI=1S/C22H23N3O5/c1-14-5-7-16(8-6-14)20-24-23-19(30-20)15(2)29-22(27)17-9-11-25(12-10-17)21(26)18-4-3-13-28-18/h3-8,13,15,17H,9-12H2,1-2H3
InChIKeyQVSOJBGUFGFEAO-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.79
Rot. Bonds5

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 55403557) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID55403557
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)o2)cc1
InChIInChI=1S/C22H23N3O5/c1-14-5-7-16(8-6-14)20-24-23-19(30-20)15(2)29-22(27)17-9-11-25(12-10-17)21(26)18-4-3-13-28-18/h3-8,13,15,17H,9-12H2,1-2H3
InChIKeyQVSOJBGUFGFEAO-UHFFFAOYSA-N
XLogP3.79
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

furan-2-yl-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132651795
1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 134054283
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46626989
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609824
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463089
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl furan-3-carboxylate
CID 46648531
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 39968800
furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone
CID 9034452
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 55403557) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is Cc1ccc(-c2nnc(C(C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is QVSOJBGUFGFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-5-7-16(8-6-14)20-24-23-19(30-20)15(2)29-22(27)17-9-11-25(12-10-17)21(26)18-4-3-13-28-18/h3-8,13,15,17H,9-12H2,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55403557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).