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

C10H11N3O4 — CID 106394089

IUPACmethyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCc2ncon2)c1
InChIInChI=1S/C10H11N3O4/c1-15-10(14)7-2-8(16-5-7)3-11-4-9-12-6-17-13-9/h2,5-6,11H,3-4H2,1H3
InChIKeyAIPLPCDSIMMEAL-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.74
Rot. Bonds5

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

methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate (PubChem CID 106394089) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate
PubChem CID106394089
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCc2ncon2)c1
InChIInChI=1S/C10H11N3O4/c1-15-10(14)7-2-8(16-5-7)3-11-4-9-12-6-17-13-9/h2,5-6,11H,3-4H2,1H3
InChIKeyAIPLPCDSIMMEAL-UHFFFAOYSA-N
XLogP0.74
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate (CID 106394089) is methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNCc2ncon2)c1.
What is the InChIKey of methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate?
The InChIKey is AIPLPCDSIMMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-15-10(14)7-2-8(16-5-7)3-11-4-9-12-6-17-13-9/h2,5-6,11H,3-4H2,1H3.
What are the key properties of methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate?
methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate has a molecular weight of 237.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 106394089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).