N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine

C20H15F3N6O — CID 118092648

About N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine

N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine (PubChem CID 118092648) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine
• PubChem CID: 118092648
• Molecular Formula: C20H15F3N6O
• Molecular Weight: 412.38 g/mol
• Exact Mass: 412.13
• IUPAC Name: N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncc(Nc3ccon3)c2)c1
• InChI: InChI=1S/C20H15F3N6O/c1-12-6-13(14-9-16(11-24-10-14)26-18-3-5-30-29-18)8-15(7-12)27-19-25-4-2-17(28-19)20(21,22)23/h2-11H,1H3,(H,26,29)(H,25,27,28)
• InChIKey: LHECGYYKWGLCSS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 88.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.38
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine?

The IUPAC name of N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine (CID 118092648) is N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine.

What is the SMILES notation for N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine?

The canonical SMILES for N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncc(Nc3ccon3)c2)c1.

What is the InChIKey of N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine?

The InChIKey is LHECGYYKWGLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-12-6-13(14-9-16(11-24-10-14)26-18-3-5-30-29-18)8-15(7-12)27-19-25-4-2-17(28-19)20(21,22)23/h2-11H,1H3,(H,26,29)(H,25,27,28).

What are the key properties of N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine?

N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine has a molecular weight of 412.38 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-pyridinyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 118092648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).