[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone

C25H20F6N2O2 — CID 87300617

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C25H20F6N2O2/c26-24(27,28)18-12-17(13-19(14-18)25(29,30)31)23(34)33-10-4-5-11-35-22-21(15-33)20(8-9-32-22)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11,15H2
InChIKeyPOZYYNRIDUZXNB-UHFFFAOYSA-N
MW494.44 g/mol
LogP6.60
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone (PubChem CID 87300617) has the molecular formula C25H20F6N2O2 and a molecular weight of 494.44 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone
PubChem CID87300617
Molecular FormulaC25H20F6N2O2
Molecular Weight494.44 g/mol
Exact Mass494.14
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C25H20F6N2O2/c26-24(27,28)18-12-17(13-19(14-18)25(29,30)31)23(34)33-10-4-5-11-35-22-21(15-33)20(8-9-32-22)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11,15H2
InChIKeyPOZYYNRIDUZXNB-UHFFFAOYSA-N
XLogP6.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
CID 67178706
3-[3,5-bis(trifluoromethyl)phenyl]-1-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)propan-1-one
CID 87300108
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
CID 87679499
naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
CID 67177561
5-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluorophenyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
CID 87299284
7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
CID 159107451
[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787769
4-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-(3-fluorophenyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
CID 87299152
[3,5-bis(trifluoromethyl)phenyl]-(5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl)methanone
CID 143775144
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081996

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone (CID 87300617) is [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCOc2nccc(-c3ccccc3)c2C1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone?
The InChIKey is POZYYNRIDUZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N2O2/c26-24(27,28)18-12-17(13-19(14-18)25(29,30)31)23(34)33-10-4-5-11-35-22-21(15-33)20(8-9-32-22)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11,15H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone has a molecular weight of 494.44 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(8-phenyl-3,4,5,7-tetrahydro-2H-pyrido[2,3-b][1,5]oxazonin-6-yl)methanone is sourced from PubChem (CID 87300617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).