N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C12H12F3N3O — CID 103269598

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(C(C)Nc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H12F3N3O/c1-7-5-17-11(19-7)8(2)18-10-4-3-9(6-16-10)12(13,14)15/h3-6,8H,1-2H3,(H,16,18)
InChIKeyWPTZLJWTEDFKLI-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.57
Rot. Bonds3

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103269598) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103269598
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(C(C)Nc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H12F3N3O/c1-7-5-17-11(19-7)8(2)18-10-4-3-9(6-16-10)12(13,14)15/h3-6,8H,1-2H3,(H,16,18)
InChIKeyWPTZLJWTEDFKLI-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103269598) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cnc(C(C)Nc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WPTZLJWTEDFKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-5-17-11(19-7)8(2)18-10-4-3-9(6-16-10)12(13,14)15/h3-6,8H,1-2H3,(H,16,18).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103269598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).