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

C14H20N4O3 — CID 82887921

IUPACethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(-c2cncn2C)no1
InChIInChI=1S/C14H20N4O3/c1-5-14(6-2,13(19)20-7-3)12-16-11(17-21-12)10-8-15-9-18(10)4/h8-9H,5-7H2,1-4H3
InChIKeyRCDXPXOPIMCQJQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds6

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

ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate (PubChem CID 82887921) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
PubChem CID82887921
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(-c2cncn2C)no1
InChIInChI=1S/C14H20N4O3/c1-5-14(6-2,13(19)20-7-3)12-16-11(17-21-12)10-8-15-9-18(10)4/h8-9H,5-7H2,1-4H3
InChIKeyRCDXPXOPIMCQJQ-UHFFFAOYSA-N
XLogP2.09
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The IUPAC name of ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate (CID 82887921) is ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The canonical SMILES for ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate is CCOC(=O)C(CC)(CC)c1nc(-c2cncn2C)no1.
What is the InChIKey of ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The InChIKey is RCDXPXOPIMCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-14(6-2,13(19)20-7-3)12-16-11(17-21-12)10-8-15-9-18(10)4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate?
ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate has a molecular weight of 292.34 g/mol, XLogP of 2.09, 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-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate is sourced from PubChem (CID 82887921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).