1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one

C15H16FN3O2 — CID 134577434

IUPAC1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
SMILESCCCC(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C15H16FN3O2/c1-2-5-12(20)14-17-15-13(21-9-8-19(15)18-14)10-6-3-4-7-11(10)16/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyCXHSMOFPWNVFPM-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.52
Rot. Bonds4

About 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one

1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one (PubChem CID 134577434) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
PubChem CID134577434
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
SMILESCCCC(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C15H16FN3O2/c1-2-5-12(20)14-17-15-13(21-9-8-19(15)18-14)10-6-3-4-7-11(10)16/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyCXHSMOFPWNVFPM-UHFFFAOYSA-N
XLogP2.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one with MolForge

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Related Compounds

US11071721, Example 5
CID 134563892
US11071721, Example 6
CID 134563925
US11071721, Example 42
CID 134563850
US11071721, Example 43
CID 134571291
US11071721, Example 45
CID 134571294
US11071721, Example 44
CID 134571295
US11071721, Example 41
CID 134571293
4-[(2-Tert-butyl-1,2,4-triazol-3-yl)methyl]-2-(4-fluorophenyl)-6-methylmorpholine
CID 121537599
4-[5-(1,4-Dioxan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-2-(2-fluorophenyl)morpholine
CID 128272940
2-bromo-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 68305644
2-bromo-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 71235415
methyl 8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxylate
CID 124179611

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one?
The IUPAC name of 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one (CID 134577434) is 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one is CCCC(=O)c1nc2n(n1)CCOC2c1ccccc1F.
What is the InChIKey of 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one?
The InChIKey is CXHSMOFPWNVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-5-12(20)14-17-15-13(21-9-8-19(15)18-14)10-6-3-4-7-11(10)16/h3-4,6-7,13H,2,5,8-9H2,1H3.
What are the key properties of 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one?
1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one has a molecular weight of 289.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one is sourced from PubChem (CID 134577434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).