4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C13H14F3N3O — CID 176796902

IUPAC4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3O/c1-8(2)10-6-20-12(19-10)9-3-4-17-11(5-9)18-7-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyPOEWVOWQMAOCPI-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.83
Rot. Bonds4

About 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 176796902) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID176796902
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3O/c1-8(2)10-6-20-12(19-10)9-3-4-17-11(5-9)18-7-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyPOEWVOWQMAOCPI-UHFFFAOYSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 176796902) is 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.
What is the InChIKey of 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is POEWVOWQMAOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)10-6-20-12(19-10)9-3-4-17-11(5-9)18-7-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 176796902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).