ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

C13H17N5O3 — CID 136901068

IUPACethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](c2nc(-c3ncc[nH]3)no2)C1
InChIInChI=1S/C13H17N5O3/c1-2-20-13(19)18-7-3-4-9(8-18)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZMCQGJWRXFJVIO-SECBINFHSA-N
MW291.31 g/mol
LogP1.80
Rot. Bonds3

About ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 136901068) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID136901068
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Nameethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](c2nc(-c3ncc[nH]3)no2)C1
InChIInChI=1S/C13H17N5O3/c1-2-20-13(19)18-7-3-4-9(8-18)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZMCQGJWRXFJVIO-SECBINFHSA-N
XLogP1.80
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
tert-butyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618445
ethyl 4-[1-[2-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209348
2-methoxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 72938728
2-methoxy-1-[(3R)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 97456697
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760396
tert-butyl 3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618105
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526596
(6-ethoxy-3-pyridinyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526598
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 136901068) is ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@@H](c2nc(-c3ncc[nH]3)no2)C1.
What is the InChIKey of ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is ZMCQGJWRXFJVIO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-2-20-13(19)18-7-3-4-9(8-18)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 136901068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).