methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate

C14H19N3O4 — CID 56792346

IUPACmethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate
SMILESCCCC(C)(NCc1nnc(-c2ccco2)o1)C(=O)OC
InChIInChI=1S/C14H19N3O4/c1-4-7-14(2,13(18)19-3)15-9-11-16-17-12(21-11)10-6-5-8-20-10/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyVPTGAWLWRIKCGL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.15
Rot. Bonds7

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

methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate (PubChem CID 56792346) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate
PubChem CID56792346
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate
SMILESCCCC(C)(NCc1nnc(-c2ccco2)o1)C(=O)OC
InChIInChI=1S/C14H19N3O4/c1-4-7-14(2,13(18)19-3)15-9-11-16-17-12(21-11)10-6-5-8-20-10/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyVPTGAWLWRIKCGL-UHFFFAOYSA-N
XLogP2.15
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate (CID 56792346) is methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate is CCCC(C)(NCc1nnc(-c2ccco2)o1)C(=O)OC.
What is the InChIKey of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate?
The InChIKey is VPTGAWLWRIKCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-7-14(2,13(18)19-3)15-9-11-16-17-12(21-11)10-6-5-8-20-10/h5-6,8,15H,4,7,9H2,1-3H3.
What are the key properties of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate?
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate has a molecular weight of 293.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate is sourced from PubChem (CID 56792346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).