3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C15H13F3N4O2 — CID 155413288

IUPAC3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccnc(Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)n1
InChIInChI=1S/C15H13F3N4O2/c1-9-6-7-19-13(20-9)21-11-4-2-10(3-5-11)12-8-14(23,24-22-12)15(16,17)18/h2-7,23H,8H2,1H3,(H,19,20,21)
InChIKeyAYPYHCMDYFQYRS-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.90
Rot. Bonds3

About 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413288) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413288
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccnc(Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)n1
InChIInChI=1S/C15H13F3N4O2/c1-9-6-7-19-13(20-9)21-11-4-2-10(3-5-11)12-8-14(23,24-22-12)15(16,17)18/h2-7,23H,8H2,1H3,(H,19,20,21)
InChIKeyAYPYHCMDYFQYRS-UHFFFAOYSA-N
XLogP2.90
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413288) is 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is Cc1ccnc(Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)n1.
What is the InChIKey of 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is AYPYHCMDYFQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-9-6-7-19-13(20-9)21-11-4-2-10(3-5-11)12-8-14(23,24-22-12)15(16,17)18/h2-7,23H,8H2,1H3,(H,19,20,21).
What are the key properties of 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 338.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).