ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate

C9H15N3O3 — CID 106399325

IUPACethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
SMILESCCOC(=O)C(CC)NCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-7(9(13)14-4-2)10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyHHWZTLBDSGOYPF-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.50
Rot. Bonds6

About ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate

ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate (PubChem CID 106399325) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
PubChem CID106399325
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
SMILESCCOC(=O)C(CC)NCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-7(9(13)14-4-2)10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyHHWZTLBDSGOYPF-UHFFFAOYSA-N
XLogP0.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 64668560
ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 106411471
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate?
The IUPAC name of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate (CID 106399325) is ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate.
What is the SMILES notation for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate?
The canonical SMILES for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate is CCOC(=O)C(CC)NCc1ncon1.
What is the InChIKey of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate?
The InChIKey is HHWZTLBDSGOYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-7(9(13)14-4-2)10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate?
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate has a molecular weight of 213.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate is sourced from PubChem (CID 106399325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).