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

C11H13N3O4 — CID 60670446

IUPACmethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-13-11(18-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3
InChIKeyXBYAEBPCOOMMFP-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.93
Rot. Bonds5

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

methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate (PubChem CID 60670446) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
PubChem CID60670446
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namemethyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-13-11(18-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3
InChIKeyXBYAEBPCOOMMFP-UHFFFAOYSA-N
XLogP0.93
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
1-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758335
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473
N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate (CID 60670446) is methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The InChIKey is XBYAEBPCOOMMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-13-11(18-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate has a molecular weight of 251.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 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]methyl-methylamino]acetate is sourced from PubChem (CID 60670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).