2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

C17H15F3N4O3 — CID 139465755

IUPAC2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-c2cnco2)n1
InChIInChI=1S/C17H15F3N4O3/c1-9-2-3-10(16(26,7-25)17(18,19)20)4-11(9)12-5-23-15(21)14(24-12)13-6-22-8-27-13/h2-6,8,25-26H,7H2,1H3,(H2,21,23)
InChIKeyQDXVCUIJMKJVFK-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.43
Rot. Bonds4

About 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 139465755) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID139465755
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-c2cnco2)n1
InChIInChI=1S/C17H15F3N4O3/c1-9-2-3-10(16(26,7-25)17(18,19)20)4-11(9)12-5-23-15(21)14(24-12)13-6-22-8-27-13/h2-6,8,25-26H,7H2,1H3,(H2,21,23)
InChIKeyQDXVCUIJMKJVFK-UHFFFAOYSA-N
XLogP2.43
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The IUPAC name of 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 139465755) is 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.
What is the SMILES notation for 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The canonical SMILES for 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-c2cnco2)n1.
What is the InChIKey of 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is QDXVCUIJMKJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-9-2-3-10(16(26,7-25)17(18,19)20)4-11(9)12-5-23-15(21)14(24-12)13-6-22-8-27-13/h2-6,8,25-26H,7H2,1H3,(H2,21,23).
What are the key properties of 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 380.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 139465755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).