2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid

C12H15N3O4 — CID 43468410

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
SMILESCC(C)C(NCc1nnc(-c2ccco2)o1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7(2)10(12(16)17)13-6-9-14-15-11(19-9)8-4-3-5-18-8/h3-5,7,10,13H,6H2,1-2H3,(H,16,17)
InChIKeyLQZFTIYPMAQRIA-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.53
Rot. Bonds6

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid (PubChem CID 43468410) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
PubChem CID43468410
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
SMILESCC(C)C(NCc1nnc(-c2ccco2)o1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7(2)10(12(16)17)13-6-9-14-15-11(19-9)8-4-3-5-18-8/h3-5,7,10,13H,6H2,1-2H3,(H,16,17)
InChIKeyLQZFTIYPMAQRIA-UHFFFAOYSA-N
XLogP1.53
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
CID 43631812
3-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]butanoic acid
CID 43468492
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
CID 78818411
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 134255543
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847854
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230163
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate
CID 56792346
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid (CID 43468410) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid is CC(C)C(NCc1nnc(-c2ccco2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid?
The InChIKey is LQZFTIYPMAQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(2)10(12(16)17)13-6-9-14-15-11(19-9)8-4-3-5-18-8/h3-5,7,10,13H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 43468410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).