ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate

C11H19N3O4 — CID 106419650

IUPACethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNCCc1nc(C)no1
InChIInChI=1S/C11H19N3O4/c1-3-17-11(16)6-9(15)7-12-5-4-10-13-8(2)14-18-10/h9,12,15H,3-7H2,1-2H3
InChIKeyHKPRXGBRGOUQRN-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.18
Rot. Bonds8

About ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate

ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate (PubChem CID 106419650) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
PubChem CID106419650
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nameethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNCCc1nc(C)no1
InChIInChI=1S/C11H19N3O4/c1-3-17-11(16)6-9(15)7-12-5-4-10-13-8(2)14-18-10/h9,12,15H,3-7H2,1-2H3
InChIKeyHKPRXGBRGOUQRN-UHFFFAOYSA-N
XLogP-0.18
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114186104
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416401
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106424088
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106414532
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate (CID 106419650) is ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate is CCOC(=O)CC(O)CNCCc1nc(C)no1.
What is the InChIKey of ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate?
The InChIKey is HKPRXGBRGOUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-17-11(16)6-9(15)7-12-5-4-10-13-8(2)14-18-10/h9,12,15H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate?
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate has a molecular weight of 257.29 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate is sourced from PubChem (CID 106419650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).