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FKXUCGSPRWOKGA-UOGPZTOASA-N

C15H14F4N4O3 — CID 158063393

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCOCC1N=NC2=CC=C(c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)ON21
InChIInChI=1S/C15H14F4N4O3/c1-8(15(17,18)19)25-14-10(16)5-9(6-20-14)11-3-4-12-21-22-13(7-24-2)23(12)26-11/h3-6,8,13H,7H2,1-2H3/t8-,13?/m1/s1
InChIKeyFKXUCGSPRWOKGA-UOGPZTOASA-N
MW374.29 g/mol
LogP3.42
Rot. Bonds5

About FKXUCGSPRWOKGA-UOGPZTOASA-N

FKXUCGSPRWOKGA-UOGPZTOASA-N (PubChem CID 158063393) has the molecular formula C15H14F4N4O3 and a molecular weight of 374.29 g/mol. Its IUPAC name is 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine.

Molecular Properties

Compound NameFKXUCGSPRWOKGA-UOGPZTOASA-N
PubChem CID158063393
Molecular FormulaC15H14F4N4O3
Molecular Weight374.29 g/mol
Exact Mass374.10
IUPAC Name6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCOCC1N=NC2=CC=C(c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)ON21
InChIInChI=1S/C15H14F4N4O3/c1-8(15(17,18)19)25-14-10(16)5-9(6-20-14)11-3-4-12-21-22-13(7-24-2)23(12)26-11/h3-6,8,13H,7H2,1-2H3/t8-,13?/m1/s1
InChIKeyFKXUCGSPRWOKGA-UOGPZTOASA-N
XLogP3.42
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of FKXUCGSPRWOKGA-UOGPZTOASA-N?
The IUPAC name of FKXUCGSPRWOKGA-UOGPZTOASA-N (CID 158063393) is 6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-3H-[1,2,4]triazolo[4,3-b]oxazine.
What is the SMILES notation for FKXUCGSPRWOKGA-UOGPZTOASA-N?
The canonical SMILES for FKXUCGSPRWOKGA-UOGPZTOASA-N is COCC1N=NC2=CC=C(c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)ON21.
What is the InChIKey of FKXUCGSPRWOKGA-UOGPZTOASA-N?
The InChIKey is FKXUCGSPRWOKGA-UOGPZTOASA-N. The full InChI is InChI=1S/C15H14F4N4O3/c1-8(15(17,18)19)25-14-10(16)5-9(6-20-14)11-3-4-12-21-22-13(7-24-2)23(12)26-11/h3-6,8,13H,7H2,1-2H3/t8-,13?/m1/s1.
What are the key properties of FKXUCGSPRWOKGA-UOGPZTOASA-N?
FKXUCGSPRWOKGA-UOGPZTOASA-N has a molecular weight of 374.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for FKXUCGSPRWOKGA-UOGPZTOASA-N is sourced from PubChem (CID 158063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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