3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one

C9H9F3N4O2 — CID 154779686

IUPAC3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one
SMILESCn1c(-c2nc(CCC(F)(F)F)no2)c[nH]c1=O
InChIInChI=1S/C9H9F3N4O2/c1-16-5(4-13-8(16)17)7-14-6(15-18-7)2-3-9(10,11)12/h4H,2-3H2,1H3,(H,13,17)
InChIKeyDEXLMOOSVNRXPE-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one

3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one (PubChem CID 154779686) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one
PubChem CID154779686
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one
SMILESCn1c(-c2nc(CCC(F)(F)F)no2)c[nH]c1=O
InChIInChI=1S/C9H9F3N4O2/c1-16-5(4-13-8(16)17)7-14-6(15-18-7)2-3-9(10,11)12/h4H,2-3H2,1H3,(H,13,17)
InChIKeyDEXLMOOSVNRXPE-UHFFFAOYSA-N
XLogP1.26
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one 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 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one (CID 154779686) is 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one is Cn1c(-c2nc(CCC(F)(F)F)no2)c[nH]c1=O.
What is the InChIKey of 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one?
The InChIKey is DEXLMOOSVNRXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c1-16-5(4-13-8(16)17)7-14-6(15-18-7)2-3-9(10,11)12/h4H,2-3H2,1H3,(H,13,17).
What are the key properties of 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one?
3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one has a molecular weight of 262.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one is sourced from PubChem (CID 154779686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).