ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate

C13H21N3O4 — CID 116808604

IUPACethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCOC(=O)C(c1nc(N2CCOCC2)no1)C(C)C
InChIInChI=1S/C13H21N3O4/c1-4-19-12(17)10(9(2)3)11-14-13(15-20-11)16-5-7-18-8-6-16/h9-10H,4-8H2,1-3H3
InChIKeyWQMUSSUGZCPHFA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.21
Rot. Bonds5

About ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate

ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 116808604) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID116808604
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCOC(=O)C(c1nc(N2CCOCC2)no1)C(C)C
InChIInChI=1S/C13H21N3O4/c1-4-19-12(17)10(9(2)3)11-14-13(15-20-11)16-5-7-18-8-6-16/h9-10H,4-8H2,1-3H3
InChIKeyWQMUSSUGZCPHFA-UHFFFAOYSA-N
XLogP1.21
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808589
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809225
ethyl 3-methyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 79475145
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807488
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate (CID 116808604) is ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate is CCOC(=O)C(c1nc(N2CCOCC2)no1)C(C)C.
What is the InChIKey of ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is WQMUSSUGZCPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-19-12(17)10(9(2)3)11-14-13(15-20-11)16-5-7-18-8-6-16/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 283.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 116808604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).