2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole

C17H21F3N2O2 — CID 86275912

IUPAC2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
SMILESCCC1(CC)COC(c2cc(OCC(F)(F)F)c(C3CC3)cn2)=N1
InChIInChI=1S/C17H21F3N2O2/c1-3-16(4-2)9-24-15(22-16)13-7-14(23-10-17(18,19)20)12(8-21-13)11-5-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyYTRYLIDQOLNHSK-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.24
Rot. Bonds6

About 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole

2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole (PubChem CID 86275912) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
PubChem CID86275912
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
SMILESCCC1(CC)COC(c2cc(OCC(F)(F)F)c(C3CC3)cn2)=N1
InChIInChI=1S/C17H21F3N2O2/c1-3-16(4-2)9-24-15(22-16)13-7-14(23-10-17(18,19)20)12(8-21-13)11-5-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyYTRYLIDQOLNHSK-UHFFFAOYSA-N
XLogP4.24
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole 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 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole (CID 86275912) is 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole is CCC1(CC)COC(c2cc(OCC(F)(F)F)c(C3CC3)cn2)=N1.
What is the InChIKey of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The InChIKey is YTRYLIDQOLNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-3-16(4-2)9-24-15(22-16)13-7-14(23-10-17(18,19)20)12(8-21-13)11-5-6-11/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole has a molecular weight of 342.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole is sourced from PubChem (CID 86275912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).