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

C12H15N3O4 — CID 43631812

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1nnc(-c2ccco2)o1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-2-4-8(12(16)17)13-7-10-14-15-11(19-10)9-5-3-6-18-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17)
InChIKeySIZNVPIQTDKNTI-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.67
Rot. Bonds7

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid (PubChem CID 43631812) 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]pentanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
PubChem CID43631812
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1nnc(-c2ccco2)o1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-2-4-8(12(16)17)13-7-10-14-15-11(19-10)9-5-3-6-18-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17)
InChIKeySIZNVPIQTDKNTI-UHFFFAOYSA-N
XLogP1.67
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
CID 43631645
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
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230163
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
CID 9371816
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7594736
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 8689255
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
CID 8689304
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid (CID 43631812) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid is CCCC(NCc1nnc(-c2ccco2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid?
The InChIKey is SIZNVPIQTDKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-4-8(12(16)17)13-7-10-14-15-11(19-10)9-5-3-6-18-9/h3,5-6,8,13H,2,4,7H2,1H3,(H,16,17).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.67, 7 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]pentanoic acid is sourced from PubChem (CID 43631812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).