8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C24H21FN6O — CID 136627178

IUPAC8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4cccc(F)c4C)cc3c2)cn1
InChIInChI=1S/C24H21FN6O/c1-14-12-30(13-26-14)17-6-7-20-16(10-17)11-21(27-20)23-28-24-22(32-9-8-31(24)29-23)18-4-3-5-19(25)15(18)2/h3-7,10-13,22,27H,8-9H2,1-2H3
InChIKeyYUXAABSTWQZBFD-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.49
Rot. Bonds3

About 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 136627178) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID136627178
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4cccc(F)c4C)cc3c2)cn1
InChIInChI=1S/C24H21FN6O/c1-14-12-30(13-26-14)17-6-7-20-16(10-17)11-21(27-20)23-28-24-22(32-9-8-31(24)29-23)18-4-3-5-19(25)15(18)2/h3-7,10-13,22,27H,8-9H2,1-2H3
InChIKeyYUXAABSTWQZBFD-UHFFFAOYSA-N
XLogP4.49
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 136627178) is 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4cccc(F)c4C)cc3c2)cn1.
What is the InChIKey of 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is YUXAABSTWQZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14-12-30(13-26-14)17-6-7-20-16(10-17)11-21(27-20)23-28-24-22(32-9-8-31(24)29-23)18-4-3-5-19(25)15(18)2/h3-7,10-13,22,27H,8-9H2,1-2H3.
What are the key properties of 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 428.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 136627178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).