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

C14H23N3O4 — CID 116808589

IUPACethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(N2CCOCC2)no1
InChIInChI=1S/C14H23N3O4/c1-4-14(5-2,12(18)20-6-3)11-15-13(16-21-11)17-7-9-19-10-8-17/h4-10H2,1-3H3
InChIKeyCIOVPLYLCXLJOW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.53
Rot. Bonds6

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

ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 116808589) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID116808589
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(N2CCOCC2)no1
InChIInChI=1S/C14H23N3O4/c1-4-14(5-2,12(18)20-6-3)11-15-13(16-21-11)17-7-9-19-10-8-17/h4-10H2,1-3H3
InChIKeyCIOVPLYLCXLJOW-UHFFFAOYSA-N
XLogP1.53
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
CID 116808490
ethyl 2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
CID 115278513
ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79471715
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806716
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 13416497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate (CID 116808589) is ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate is CCOC(=O)C(CC)(CC)c1nc(N2CCOCC2)no1.
What is the InChIKey of ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is CIOVPLYLCXLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-14(5-2,12(18)20-6-3)11-15-13(16-21-11)17-7-9-19-10-8-17/h4-10H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate?
ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 297.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 116808589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).