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

C12H15N3O4 — CID 55005935

IUPAC4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H15N3O4/c1-15(6-2-5-11(16)17)8-10-13-14-12(19-10)9-4-3-7-18-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeySTMFMEXAJFRPHT-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.63
Rot. Bonds7

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

4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid (PubChem CID 55005935) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
PubChem CID55005935
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H15N3O4/c1-15(6-2-5-11(16)17)8-10-13-14-12(19-10)9-4-3-7-18-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeySTMFMEXAJFRPHT-UHFFFAOYSA-N
XLogP1.63
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
1-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758335
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
2-[cyclopropylmethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetic acid
CID 43656750
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230163
1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 134001630
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8689269
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 60988081

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid?
The IUPAC name of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid (CID 55005935) is 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid is CN(CCCC(=O)O)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid?
The InChIKey is STMFMEXAJFRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15(6-2-5-11(16)17)8-10-13-14-12(19-10)9-4-3-7-18-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid?
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid is sourced from PubChem (CID 55005935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).