ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate

C10H14N2O3 — CID 107002989

IUPACethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-14-9(13)7-11-8(15-12-7)6-5-10(6,2)3/h6H,4-5H2,1-3H3
InChIKeyUVLGTRRYGORYER-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds3

About ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 107002989) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID107002989
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-14-9(13)7-11-8(15-12-7)6-5-10(6,2)3/h6H,4-5H2,1-3H3
InChIKeyUVLGTRRYGORYER-UHFFFAOYSA-N
XLogP1.76
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazole-3-carboxylate
CID 107183018
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
ethyl 5-(1,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 165485295
ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 81327711
ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631467
ethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 115970564
ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 107127602
ethyl 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379720
ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631594
ethyl 5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole-3-carboxylate
CID 86701411

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate (CID 107002989) is ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CC2(C)C)n1.
What is the InChIKey of ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is UVLGTRRYGORYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-14-9(13)7-11-8(15-12-7)6-5-10(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 107002989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).