ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate

C11H14N2O3 — CID 79472027

IUPACethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H14N2O3/c1-2-15-10(14)11(5-6-11)9-12-8(13-16-9)7-3-4-7/h7H,2-6H2,1H3
InChIKeyHVVLVKBKUYCKDY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.54
Rot. Bonds4

About ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate

ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate (PubChem CID 79472027) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
PubChem CID79472027
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H14N2O3/c1-2-15-10(14)11(5-6-11)9-12-8(13-16-9)7-3-4-7/h7H,2-6H2,1H3
InChIKeyHVVLVKBKUYCKDY-UHFFFAOYSA-N
XLogP1.54
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate (CID 79472027) is ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc(C3CC3)no2)CC1.
What is the InChIKey of ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The InChIKey is HVVLVKBKUYCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-15-10(14)11(5-6-11)9-12-8(13-16-9)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79472027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).