5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile

C15H12F4N4O3 — CID 134474294

IUPAC5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
SMILESC[C@H](Oc1cc(-n2nc3n(c2=O)CCOC3)c(F)cc1C#N)C(F)(F)F
InChIInChI=1S/C15H12F4N4O3/c1-8(15(17,18)19)26-12-5-11(10(16)4-9(12)6-20)23-14(24)22-2-3-25-7-13(22)21-23/h4-5,8H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyPCLQBJKCASWJHW-QMMMGPOBSA-N
MW372.28 g/mol
LogP1.90
Rot. Bonds3

About 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile

5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile (PubChem CID 134474294) has the molecular formula C15H12F4N4O3 and a molecular weight of 372.28 g/mol. Its IUPAC name is 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
PubChem CID134474294
Molecular FormulaC15H12F4N4O3
Molecular Weight372.28 g/mol
Exact Mass372.08
IUPAC Name5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
SMILESC[C@H](Oc1cc(-n2nc3n(c2=O)CCOC3)c(F)cc1C#N)C(F)(F)F
InChIInChI=1S/C15H12F4N4O3/c1-8(15(17,18)19)26-12-5-11(10(16)4-9(12)6-20)23-14(24)22-2-3-25-7-13(22)21-23/h4-5,8H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyPCLQBJKCASWJHW-QMMMGPOBSA-N
XLogP1.90
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile 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 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The IUPAC name of 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile (CID 134474294) is 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The canonical SMILES for 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile is C[C@H](Oc1cc(-n2nc3n(c2=O)CCOC3)c(F)cc1C#N)C(F)(F)F.
What is the InChIKey of 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The InChIKey is PCLQBJKCASWJHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12F4N4O3/c1-8(15(17,18)19)26-12-5-11(10(16)4-9(12)6-20)23-14(24)22-2-3-25-7-13(22)21-23/h4-5,8H,2-3,7H2,1H3/t8-/m0/s1.
What are the key properties of 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile has a molecular weight of 372.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 134474294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).