7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C22H17F3N2O3 — CID 134806890

IUPAC7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3cccc(O)c3)nc2CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-4-14(5-7-16)11-27-12-19-20(30-13-21(27)29)9-8-18(26-19)15-2-1-3-17(28)10-15/h1-10,28H,11-13H2
InChIKeyNZJLUHZKKGTKOM-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.39
Rot. Bonds3

About 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806890) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806890
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3cccc(O)c3)nc2CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-4-14(5-7-16)11-27-12-19-20(30-13-21(27)29)9-8-18(26-19)15-2-1-3-17(28)10-15/h1-10,28H,11-13H2
InChIKeyNZJLUHZKKGTKOM-UHFFFAOYSA-N
XLogP4.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-7-(3,5-difluorophenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805573
7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805575
4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805893
4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805909
4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806875
7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806878
4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806892
7-(3,5-difluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806896
7-(3,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806923
7-thiophen-3-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134807446
4-[(2-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134807460
4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134807996

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806890) is 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(-c3cccc(O)c3)nc2CN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is NZJLUHZKKGTKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-4-14(5-7-16)11-27-12-19-20(30-13-21(27)29)9-8-18(26-19)15-2-1-3-17(28)10-15/h1-10,28H,11-13H2.
What are the key properties of 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 414.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).