2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid

C13H15N3O4 — CID 116684294

IUPAC2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C13H15N3O4/c1-8(13(17)18)9-5-16(6-9)7-11-14-12(20-15-11)10-3-2-4-19-10/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyYJRBMDLNUYIVSB-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.48
Rot. Bonds5

About 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid

2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684294) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
PubChem CID116684294
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C13H15N3O4/c1-8(13(17)18)9-5-16(6-9)7-11-14-12(20-15-11)10-3-2-4-19-10/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyYJRBMDLNUYIVSB-UHFFFAOYSA-N
XLogP1.48
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147726
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid (CID 116684294) is 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(Cc2noc(-c3ccco3)n2)C1.
What is the InChIKey of 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid?
The InChIKey is YJRBMDLNUYIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(13(17)18)9-5-16(6-9)7-11-14-12(20-15-11)10-3-2-4-19-10/h2-4,8-9H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid?
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).