(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone

C18H14F3N3O2S — CID 70295621

IUPAC(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(-c2ncc[nH]2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2S/c1-27-17-13(15(26-24-17)9-2-3-9)14(25)11-5-4-10(16-22-6-7-23-16)8-12(11)18(19,20)21/h4-9H,2-3H2,1H3,(H,22,23)
InChIKeyXFJUQEKTUSYEMC-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.91
Rot. Bonds5

About (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone

(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone (PubChem CID 70295621) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone
PubChem CID70295621
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(-c2ncc[nH]2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2S/c1-27-17-13(15(26-24-17)9-2-3-9)14(25)11-5-4-10(16-22-6-7-23-16)8-12(11)18(19,20)21/h4-9H,2-3H2,1H3,(H,22,23)
InChIKeyXFJUQEKTUSYEMC-UHFFFAOYSA-N
XLogP4.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone 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 (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone (CID 70295621) is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone is CSc1noc(C2CC2)c1C(=O)c1ccc(-c2ncc[nH]2)cc1C(F)(F)F.
What is the InChIKey of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is XFJUQEKTUSYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-27-17-13(15(26-24-17)9-2-3-9)14(25)11-5-4-10(16-22-6-7-23-16)8-12(11)18(19,20)21/h4-9H,2-3H2,1H3,(H,22,23).
What are the key properties of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone?
(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[4-(1H-imidazol-2-yl)-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70295621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).