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

C13H15N3O4 — CID 63147726

IUPAC1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C13H15N3O4/c1-13(12(17)18)4-5-16(8-13)7-10-14-11(20-15-10)9-3-2-6-19-9/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyAFIGXPDKCSDVBE-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.63
Rot. Bonds4

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

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147726) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147726
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C13H15N3O4/c1-13(12(17)18)4-5-16(8-13)7-10-14-11(20-15-10)9-3-2-6-19-9/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyAFIGXPDKCSDVBE-UHFFFAOYSA-N
XLogP1.63
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147726) is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(Cc2noc(-c3ccco3)n2)C1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is AFIGXPDKCSDVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-13(12(17)18)4-5-16(8-13)7-10-14-11(20-15-10)9-3-2-6-19-9/h2-3,6H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).