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

C13H15N3O5 — CID 78925869

IUPACmethyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(-c3ccco3)no2)CCO1
InChIInChI=1S/C13H15N3O5/c1-18-13(17)10-7-16(4-6-20-10)8-11-14-12(15-21-11)9-3-2-5-19-9/h2-3,5,10H,4,6-8H2,1H3
InChIKeyYIMAPVWJPONPSM-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.70
Rot. Bonds4

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

methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate (PubChem CID 78925869) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
PubChem CID78925869
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Namemethyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(-c3ccco3)no2)CCO1
InChIInChI=1S/C13H15N3O5/c1-18-13(17)10-7-16(4-6-20-10)8-11-14-12(15-21-11)9-3-2-5-19-9/h2-3,5,10H,4,6-8H2,1H3
InChIKeyYIMAPVWJPONPSM-UHFFFAOYSA-N
XLogP0.70
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
CID 78926318
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 86928388
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,6-dimethylazepane-3,4-diol
CID 166294010
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate (CID 78925869) is methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2nc(-c3ccco3)no2)CCO1.
What is the InChIKey of methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate?
The InChIKey is YIMAPVWJPONPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-18-13(17)10-7-16(4-6-20-10)8-11-14-12(15-21-11)9-3-2-5-19-9/h2-3,5,10H,4,6-8H2,1H3.
What are the key properties of methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate?
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78925869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).