5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine

C14H12F3N5O2 — CID 70798724

IUPAC5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(Oc1nc(-c2ccc3oc(N)nc3c2)cnc1N)C(F)(F)F
InChIInChI=1S/C14H12F3N5O2/c1-6(14(15,16)17)23-12-11(18)20-5-9(21-12)7-2-3-10-8(4-7)22-13(19)24-10/h2-6H,1H3,(H2,18,20)(H2,19,22)
InChIKeyFKMPMNKKKXKDDI-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.78
Rot. Bonds3

About 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine

5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798724) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine
PubChem CID70798724
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(Oc1nc(-c2ccc3oc(N)nc3c2)cnc1N)C(F)(F)F
InChIInChI=1S/C14H12F3N5O2/c1-6(14(15,16)17)23-12-11(18)20-5-9(21-12)7-2-3-10-8(4-7)22-13(19)24-10/h2-6H,1H3,(H2,18,20)(H2,19,22)
InChIKeyFKMPMNKKKXKDDI-UHFFFAOYSA-N
XLogP2.78
TPSA113.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine (CID 70798724) is 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine is CC(Oc1nc(-c2ccc3oc(N)nc3c2)cnc1N)C(F)(F)F.
What is the InChIKey of 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is FKMPMNKKKXKDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-6(14(15,16)17)23-12-11(18)20-5-9(21-12)7-2-3-10-8(4-7)22-13(19)24-10/h2-6H,1H3,(H2,18,20)(H2,19,22).
What are the key properties of 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine?
5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 339.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).