methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate

C14H17N3O4 — CID 37258274

IUPACmethyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H17N3O4/c1-19-14(18)10-5-2-3-7-17(10)9-12-15-13(16-21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m1/s1
InChIKeyQVWKMUFDHILUSJ-SNVBAGLBSA-N
MW291.31 g/mol
LogP1.86
Rot. Bonds4

About methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate

methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate (PubChem CID 37258274) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
PubChem CID37258274
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H17N3O4/c1-19-14(18)10-5-2-3-7-17(10)9-12-15-13(16-21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m1/s1
InChIKeyQVWKMUFDHILUSJ-SNVBAGLBSA-N
XLogP1.86
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55554532
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957909
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
ethyl (2S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 42395418
methyl (3S)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 50961243
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate (CID 37258274) is methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The InChIKey is QVWKMUFDHILUSJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-19-14(18)10-5-2-3-7-17(10)9-12-15-13(16-21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 37258274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).