3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide

C23H18F3N3O3 — CID 134805568

IUPAC3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide
SMILESC1C2=C(C=CC(=N2)C3=CC(=CC=C3)C(=O)N)OCC(=O)N1CC4=CC=C(C=C4)C(F)(F)F
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)17-6-4-14(5-7-17)11-29-12-19-20(32-13-21(29)30)9-8-18(28-19)15-2-1-3-16(10-15)22(27)31/h1-10H,11-13H2,(H2,27,31)
InChIKeyGVPGQCWSBNYYFS-UHFFFAOYSA-N
MW441.40 g/mol
LogP2.90
Rot. Bonds4

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

3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide (PubChem CID 134805568) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide.

Molecular Properties

Compound Name3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide
PubChem CID134805568
Molecular FormulaC23H18F3N3O3
Molecular Weight441.40 g/mol
Exact Mass441.13
IUPAC Name3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide
SMILESC1C2=C(C=CC(=N2)C3=CC(=CC=C3)C(=O)N)OCC(=O)N1CC4=CC=C(C=C4)C(F)(F)F
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)17-6-4-14(5-7-17)11-29-12-19-20(32-13-21(29)30)9-8-18(28-19)15-2-1-3-16(10-15)22(27)31/h1-10H,11-13H2,(H2,27,31)
InChIKeyGVPGQCWSBNYYFS-UHFFFAOYSA-N
XLogP2.90
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity681

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide 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

N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579
2,2,2-trifluoro-1-[4-(7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]ethanone
CID 59604449
4-[(3-Fluoropyridin-2-yl)methyl]-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183270
4-(Pyridin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183285
7-[4-(Trifluoromethoxy)phenyl]-4-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 89350072
6-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepin-8-yl]pyridine-2-carboxamide
CID 118255620
6-(4-(2-(Morpholinomethyl)-4-(trifluoromethyl)phenoxy)phenyl) picolinamide
CID 86272128
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
7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806890

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide?
The IUPAC name of 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide (CID 134805568) is 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide.
What is the SMILES notation for 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide?
The canonical SMILES for 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide is C1C2=C(C=CC(=N2)C3=CC(=CC=C3)C(=O)N)OCC(=O)N1CC4=CC=C(C=C4)C(F)(F)F.
What is the InChIKey of 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide?
The InChIKey is GVPGQCWSBNYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-23(25,26)17-6-4-14(5-7-17)11-29-12-19-20(32-13-21(29)30)9-8-18(28-19)15-2-1-3-16(10-15)22(27)31/h1-10H,11-13H2,(H2,27,31).
What are the key properties of 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide?
3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide has a molecular weight of 441.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide is sourced from PubChem (CID 134805568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).