3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine

C24H23F2N5O — CID 166971160

IUPAC3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNCC(C)F)cc4F)no3)n2)cc1
InChIInChI=1S/C24H23F2N5O/c1-14-3-6-17(7-4-14)21-13-29-24(27)23(30-21)22-10-20(31-32-22)18-8-5-16(9-19(18)26)12-28-11-15(2)25/h3-10,13,15,28H,11-12H2,1-2H3,(H2,27,29)
InChIKeyZUKUXBWMSTUXMZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.94
Rot. Bonds7

About 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine

3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine (PubChem CID 166971160) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
PubChem CID166971160
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNCC(C)F)cc4F)no3)n2)cc1
InChIInChI=1S/C24H23F2N5O/c1-14-3-6-17(7-4-14)21-13-29-24(27)23(30-21)22-10-20(31-32-22)18-8-5-16(9-19(18)26)12-28-11-15(2)25/h3-10,13,15,28H,11-12H2,1-2H3,(H2,27,29)
InChIKeyZUKUXBWMSTUXMZ-UHFFFAOYSA-N
XLogP4.94
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine (CID 166971160) is 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine is Cc1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNCC(C)F)cc4F)no3)n2)cc1.
What is the InChIKey of 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The InChIKey is ZUKUXBWMSTUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-14-3-6-17(7-4-14)21-13-29-24(27)23(30-21)22-10-20(31-32-22)18-8-5-16(9-19(18)26)12-28-11-15(2)25/h3-10,13,15,28H,11-12H2,1-2H3,(H2,27,29).
What are the key properties of 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine has a molecular weight of 435.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 166971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).