ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate

C16H21N5O3 — CID 42565131

IUPACethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C16H21N5O3/c1-2-23-15(22)9-12-5-3-4-8-21(12)11-14-19-16(20-24-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3/t12-/m1/s1
InChIKeyKESDCVSOKBZGOY-GFCCVEGCSA-N
MW331.38 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate

ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate (PubChem CID 42565131) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
PubChem CID42565131
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C16H21N5O3/c1-2-23-15(22)9-12-5-3-4-8-21(12)11-14-19-16(20-24-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3/t12-/m1/s1
InChIKeyKESDCVSOKBZGOY-GFCCVEGCSA-N
XLogP1.83
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate with MolForge

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Related Compounds

5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26332806
ethyl 2-[(3S)-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]acetate
CID 28734125
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
2-cyclopentylsulfanyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642127
ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate
CID 100698900
ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 79474428
ethyl (2S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 42395418
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
2-(4-methylphenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 91916726
2-(2-methylphenoxy)-1-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993910
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate (CID 42565131) is ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate is CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cnccn2)no1.
What is the InChIKey of ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate?
The InChIKey is KESDCVSOKBZGOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-2-23-15(22)9-12-5-3-4-8-21(12)11-14-19-16(20-24-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3/t12-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate?
ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate has a molecular weight of 331.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 42565131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).