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

C15H17F3N2O2 — CID 86275944

IUPAC2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cc(OCC(F)(F)F)c(C3CC3)cn2)O1
InChIInChI=1S/C15H17F3N2O2/c1-14(2)7-20-13(22-14)11-5-12(21-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyOIJDLVWTTOVNHT-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.46
Rot. Bonds4

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

2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 86275944) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID86275944
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cc(OCC(F)(F)F)c(C3CC3)cn2)O1
InChIInChI=1S/C15H17F3N2O2/c1-14(2)7-20-13(22-14)11-5-12(21-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyOIJDLVWTTOVNHT-UHFFFAOYSA-N
XLogP3.46
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pilavapadin
CID 118419773
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
2-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-2-yl]-4,4-diethyl-5H-1,3-oxazole
CID 78428089

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 86275944) is 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2cc(OCC(F)(F)F)c(C3CC3)cn2)O1.
What is the InChIKey of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is OIJDLVWTTOVNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-14(2)7-20-13(22-14)11-5-12(21-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 314.31 g/mol, XLogP of 3.46, 4 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]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 86275944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).