2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid

C11H13N3O4 — CID 43465858

IUPAC2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid
SMILESCc1cc(-c2nnc(CNCC(=O)O)o2)c(C)o1
InChIInChI=1S/C11H13N3O4/c1-6-3-8(7(2)17-6)11-14-13-9(18-11)4-12-5-10(15)16/h3,12H,4-5H2,1-2H3,(H,15,16)
InChIKeySHPYJFBOBGNJMX-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.12
Rot. Bonds5

About 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid

2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid (PubChem CID 43465858) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid
PubChem CID43465858
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid
SMILESCc1cc(-c2nnc(CNCC(=O)O)o2)c(C)o1
InChIInChI=1S/C11H13N3O4/c1-6-3-8(7(2)17-6)11-14-13-9(18-11)4-12-5-10(15)16/h3,12H,4-5H2,1-2H3,(H,15,16)
InChIKeySHPYJFBOBGNJMX-UHFFFAOYSA-N
XLogP1.12
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60672012
3-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butanoic acid
CID 66137386
2-(bromomethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 81222711
2-[cyclopropyl-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
CID 60833404
(E)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252444
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 113373912
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-3-amine
CID 107424073
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9254483

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid (CID 43465858) is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid is Cc1cc(-c2nnc(CNCC(=O)O)o2)c(C)o1.
What is the InChIKey of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid?
The InChIKey is SHPYJFBOBGNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6-3-8(7(2)17-6)11-14-13-9(18-11)4-12-5-10(15)16/h3,12H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid?
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid is sourced from PubChem (CID 43465858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).