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

C11H14F2N2O3 — CID 103150946

IUPAC1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(CCOCC(F)F)no1)C1CC1
InChIInChI=1S/C11H14F2N2O3/c12-9(13)6-17-4-3-10-14-11(18-15-10)5-8(16)7-1-2-7/h7,9H,1-6H2
InChIKeyRTPWCNTZOPGWGL-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.42
Rot. Bonds8

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

1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 103150946) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID103150946
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(CCOCC(F)F)no1)C1CC1
InChIInChI=1S/C11H14F2N2O3/c12-9(13)6-17-4-3-10-14-11(18-15-10)5-8(16)7-1-2-7/h7,9H,1-6H2
InChIKeyRTPWCNTZOPGWGL-UHFFFAOYSA-N
XLogP1.42
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 103150946) is 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone is O=C(Cc1nc(CCOCC(F)F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is RTPWCNTZOPGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-9(13)6-17-4-3-10-14-11(18-15-10)5-8(16)7-1-2-7/h7,9H,1-6H2.
What are the key properties of 1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 260.24 g/mol, XLogP of 1.42, 8 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-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 103150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).