1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

C22H26N4O6S — CID 55463089

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)o2)cc1
InChIInChI=1S/C22H26N4O6S/c1-13-7-9-17(10-8-13)21-24-23-20(31-21)16(4)30-22(27)18-6-5-11-26(12-18)33(28,29)19-14(2)25-32-15(19)3/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyIVYFCOZPYGKNSI-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.35
Rot. Bonds6

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate (PubChem CID 55463089) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
PubChem CID55463089
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)o2)cc1
InChIInChI=1S/C22H26N4O6S/c1-13-7-9-17(10-8-13)21-24-23-20(31-21)16(4)30-22(27)18-6-5-11-26(12-18)33(28,29)19-14(2)25-32-15(19)3/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyIVYFCOZPYGKNSI-UHFFFAOYSA-N
XLogP3.35
TPSA128.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463538
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 98945292
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55473731
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25449303
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463467
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 55510679
(3-methyl-1,2-oxazol-5-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463541
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of 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) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate is Cc1ccc(-c2nnc(C(C)OC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is IVYFCOZPYGKNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-13-7-9-17(10-8-13)21-24-23-20(31-21)16(4)30-22(27)18-6-5-11-26(12-18)33(28,29)19-14(2)25-32-15(19)3/h7-10,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 474.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 55463089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).