6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C20H20F3N5O — CID 67324572

IUPAC6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4cccc(C(F)(F)F)c4)n3)o2)CC1
InChIInChI=1S/C20H20F3N5O/c1-27-8-10-28(11-9-27)19-24-13-17(29-19)16-6-3-7-18(26-16)25-15-5-2-4-14(12-15)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,25,26)
InChIKeyDTXMKIXUPVQDOB-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.25
Rot. Bonds4

About 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 67324572) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID67324572
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4cccc(C(F)(F)F)c4)n3)o2)CC1
InChIInChI=1S/C20H20F3N5O/c1-27-8-10-28(11-9-27)19-24-13-17(29-19)16-6-3-7-18(26-16)25-15-5-2-4-14(12-15)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,25,26)
InChIKeyDTXMKIXUPVQDOB-UHFFFAOYSA-N
XLogP4.25
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 67324572) is 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is CN1CCN(c2ncc(-c3cccc(Nc4cccc(C(F)(F)F)c4)n3)o2)CC1.
What is the InChIKey of 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is DTXMKIXUPVQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-27-8-10-28(11-9-27)19-24-13-17(29-19)16-6-3-7-18(26-16)25-15-5-2-4-14(12-15)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,25,26).
What are the key properties of 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 403.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 67324572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).