3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C19H16F3N5O — CID 155884313

IUPAC3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(C(C)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12
InChIInChI=1S/C19H16F3N5O/c1-10-3-4-12(11(2)19(20,21)22)5-13(10)15-6-25-18-17(23)26-14(8-27(15)18)16-7-24-9-28-16/h3-9,11H,1-2H3,(H2,23,26)
InChIKeyVSOMTKNZIYYCBX-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.61
Rot. Bonds3

About 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 155884313) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID155884313
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(C(C)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12
InChIInChI=1S/C19H16F3N5O/c1-10-3-4-12(11(2)19(20,21)22)5-13(10)15-6-25-18-17(23)26-14(8-27(15)18)16-7-24-9-28-16/h3-9,11H,1-2H3,(H2,23,26)
InChIKeyVSOMTKNZIYYCBX-UHFFFAOYSA-N
XLogP4.61
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 155884313) is 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1ccc(C(C)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12.
What is the InChIKey of 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is VSOMTKNZIYYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-10-3-4-12(11(2)19(20,21)22)5-13(10)15-6-25-18-17(23)26-14(8-27(15)18)16-7-24-9-28-16/h3-9,11H,1-2H3,(H2,23,26).
What are the key properties of 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 387.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(1,1,1-trifluoropropan-2-yl)phenyl]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 155884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).