1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone

C12H18N2O3 — CID 116732738

IUPAC1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOC(C)(C)c1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C12H18N2O3/c1-4-16-12(2,3)11-13-10(17-14-11)7-9(15)8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyMAJGZQBLUDUKFG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.86
Rot. Bonds6

About 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 116732738) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID116732738
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOC(C)(C)c1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C12H18N2O3/c1-4-16-12(2,3)11-13-10(17-14-11)7-9(15)8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyMAJGZQBLUDUKFG-UHFFFAOYSA-N
XLogP1.86
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-Trifluoro-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 80174174
1,1,1-Trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 80680713
1,1,1-Trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681115
1,1-Difluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681579
4-Methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 103150918
1-Cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 103150925
1-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 103150938
1-Cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 103150946
1-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 103476744
4-Methyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 103476746
2-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 103476748
3,3-Dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103476752

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone (CID 116732738) is 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone is CCOC(C)(C)c1noc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is MAJGZQBLUDUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-16-12(2,3)11-13-10(17-14-11)7-9(15)8-5-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 116732738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).