3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide

C11H17N3O3 — CID 139019204

IUPAC3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCC1(c2noc(C(N)=O)n2)CCCC1
InChIInChI=1S/C11H17N3O3/c1-16-7-6-11(4-2-3-5-11)10-13-9(8(12)15)17-14-10/h2-7H2,1H3,(H2,12,15)
InChIKeyQQLWXFPOUDZHNN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.02
Rot. Bonds5

About 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide

3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 139019204) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID139019204
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCC1(c2noc(C(N)=O)n2)CCCC1
InChIInChI=1S/C11H17N3O3/c1-16-7-6-11(4-2-3-5-11)10-13-9(8(12)15)17-14-10/h2-7H2,1H3,(H2,12,15)
InChIKeyQQLWXFPOUDZHNN-UHFFFAOYSA-N
XLogP1.02
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide (CID 139019204) is 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide is COCCC1(c2noc(C(N)=O)n2)CCCC1.
What is the InChIKey of 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QQLWXFPOUDZHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-7-6-11(4-2-3-5-11)10-13-9(8(12)15)17-14-10/h2-7H2,1H3,(H2,12,15).
What are the key properties of 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide?
3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 139019204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).