ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate

C18H21ClN4O4 — CID 3409666

IUPACethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H21ClN4O4/c1-2-26-15(24)11-20-18(25)23-9-4-3-8-14(23)17-21-16(22-27-17)12-6-5-7-13(19)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,20,25)
InChIKeyWFGQWLQREDFKSO-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate

ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate (PubChem CID 3409666) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate
PubChem CID3409666
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Nameethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H21ClN4O4/c1-2-26-15(24)11-20-18(25)23-9-4-3-8-14(23)17-21-16(22-27-17)12-6-5-7-13(19)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,20,25)
InChIKeyWFGQWLQREDFKSO-UHFFFAOYSA-N
XLogP3.19
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 42760502
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 4006841
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
1-[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 813041
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
CID 42765254
methyl 2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 70718409
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057746
N-butyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760781
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate (CID 3409666) is ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is WFGQWLQREDFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-2-26-15(24)11-20-18(25)23-9-4-3-8-14(23)17-21-16(22-27-17)12-6-5-7-13(19)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,20,25).
What are the key properties of ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 392.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 3409666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).