4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one

C19H18F4N2O4 — CID 11654541

IUPAC4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one
SMILESCC(C)(CC(O)(Cn1ccc(=O)c2ocnc21)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H18F4N2O4/c1-17(2,12-7-11(20)3-4-13(12)26)8-18(28,19(21,22)23)9-25-6-5-14(27)15-16(25)24-10-29-15/h3-7,10,26,28H,8-9H2,1-2H3
InChIKeyFXTDJGBQVLSPQZ-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one

4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one (PubChem CID 11654541) has the molecular formula C19H18F4N2O4 and a molecular weight of 414.36 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one
PubChem CID11654541
Molecular FormulaC19H18F4N2O4
Molecular Weight414.36 g/mol
Exact Mass414.12
IUPAC Name4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one
SMILESCC(C)(CC(O)(Cn1ccc(=O)c2ocnc21)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H18F4N2O4/c1-17(2,12-7-11(20)3-4-13(12)26)8-18(28,19(21,22)23)9-25-6-5-14(27)15-16(25)24-10-29-15/h3-7,10,26,28H,8-9H2,1-2H3
InChIKeyFXTDJGBQVLSPQZ-UHFFFAOYSA-N
XLogP3.50
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one?
The IUPAC name of 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one (CID 11654541) is 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one.
What is the SMILES notation for 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one?
The canonical SMILES for 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one is CC(C)(CC(O)(Cn1ccc(=O)c2ocnc21)C(F)(F)F)c1cc(F)ccc1O.
What is the InChIKey of 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one?
The InChIKey is FXTDJGBQVLSPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O4/c1-17(2,12-7-11(20)3-4-13(12)26)8-18(28,19(21,22)23)9-25-6-5-14(27)15-16(25)24-10-29-15/h3-7,10,26,28H,8-9H2,1-2H3.
What are the key properties of 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one?
4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one has a molecular weight of 414.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-[1,3]oxazolo[4,5-b]pyridin-7-one is sourced from PubChem (CID 11654541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).