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

C20H19F3N2O3 — CID 134806878

IUPAC7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)15-5-3-13(4-6-15)9-25-10-16-17(27-12-19(25)26)7-8-18(24-16)28-11-14-1-2-14/h3-8,14H,1-2,9-12H2
InChIKeyLUVOKMIGEHMKTH-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.81
Rot. Bonds5

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

7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806878) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806878
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)15-5-3-13(4-6-15)9-25-10-16-17(27-12-19(25)26)7-8-18(24-16)28-11-14-1-2-14/h3-8,14H,1-2,9-12H2
InChIKeyLUVOKMIGEHMKTH-UHFFFAOYSA-N
XLogP3.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(cyclopropylmethoxy)-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

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806878) is 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is LUVOKMIGEHMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)15-5-3-13(4-6-15)9-25-10-16-17(27-12-19(25)26)7-8-18(24-16)28-11-14-1-2-14/h3-8,14H,1-2,9-12H2.
What are the key properties of 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 392.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).