ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

C15H22N2O4 — CID 116704927

IUPACethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(OC)C3CC3)no2)CCCC1
InChIInChI=1S/C15H22N2O4/c1-3-20-14(18)15(8-4-5-9-15)13-16-12(17-21-13)11(19-2)10-6-7-10/h10-11H,3-9H2,1-2H3
InChIKeyKZDMUOPAFSYICO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds6

About ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (PubChem CID 116704927) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
PubChem CID116704927
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(OC)C3CC3)no2)CCCC1
InChIInChI=1S/C15H22N2O4/c1-3-20-14(18)15(8-4-5-9-15)13-16-12(17-21-13)11(19-2)10-6-7-10/h10-11H,3-9H2,1-2H3
InChIKeyKZDMUOPAFSYICO-UHFFFAOYSA-N
XLogP2.54
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (CID 116704927) is ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is CCOC(=O)C1(c2nc(C(OC)C3CC3)no2)CCCC1.
What is the InChIKey of ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The InChIKey is KZDMUOPAFSYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-20-14(18)15(8-4-5-9-15)13-16-12(17-21-13)11(19-2)10-6-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 116704927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).