5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one

C15H10F3N3O3 — CID 155585282

IUPAC5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)[nH]cc1O
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-8(2-4-9)12-7-20-14(24-12)21-13-5-10(22)11(23)6-19-13/h1-7,23H,(H2,19,20,21,22)
InChIKeyZZELAWOXILFWKC-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.50
Rot. Bonds3

About 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one

5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one (PubChem CID 155585282) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
PubChem CID155585282
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)[nH]cc1O
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-8(2-4-9)12-7-20-14(24-12)21-13-5-10(22)11(23)6-19-13/h1-7,23H,(H2,19,20,21,22)
InChIKeyZZELAWOXILFWKC-UHFFFAOYSA-N
XLogP3.50
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one (CID 155585282) is 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one is O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)[nH]cc1O.
What is the InChIKey of 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one?
The InChIKey is ZZELAWOXILFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-8(2-4-9)12-7-20-14(24-12)21-13-5-10(22)11(23)6-19-13/h1-7,23H,(H2,19,20,21,22).
What are the key properties of 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one?
5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one has a molecular weight of 337.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one is sourced from PubChem (CID 155585282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).