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

C11H19N3O3 — CID 79475173

IUPACethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)c1nc(CN(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-8(11(15)16-6-2)10-12-9(13-17-10)7-14(3)4/h8H,5-7H2,1-4H3
InChIKeyLRBLAHBGFWXOSA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.19
Rot. Bonds6

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

ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate (PubChem CID 79475173) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate
PubChem CID79475173
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)c1nc(CN(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-8(11(15)16-6-2)10-12-9(13-17-10)7-14(3)4/h8H,5-7H2,1-4H3
InChIKeyLRBLAHBGFWXOSA-UHFFFAOYSA-N
XLogP1.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 79020202
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79474595
ethyl 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704739
ethyl 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474835
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 115347250
ethyl 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 107917955
ethyl 4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475320
(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
CID 162061576
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
ethyl 4-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475476
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate?
The IUPAC name of ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate (CID 79475173) is ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate.
What is the SMILES notation for ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate?
The canonical SMILES for ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate is CCOC(=O)C(CC)c1nc(CN(C)C)no1.
What is the InChIKey of ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate?
The InChIKey is LRBLAHBGFWXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-8(11(15)16-6-2)10-12-9(13-17-10)7-14(3)4/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate?
ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate has a molecular weight of 241.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate is sourced from PubChem (CID 79475173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).