N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide

C25H24FN3O3 — CID 90324523

IUPACN-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide
SMILESO=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1
InChIInChI=1S/C25H24FN3O3/c26-23-20(18-12-22-25(28-13-18)27-10-11-31-22)8-9-21(17-2-1-3-17)24(23)32-14-16-4-6-19(7-5-16)29-15-30/h4-9,12-13,15,17H,1-3,10-11,14H2,(H,27,28)(H,29,30)
InChIKeyPOVIZUUIOYCXEW-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.11
Rot. Bonds7

About N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide

N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide (PubChem CID 90324523) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide
PubChem CID90324523
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide
SMILESO=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1
InChIInChI=1S/C25H24FN3O3/c26-23-20(18-12-22-25(28-13-18)27-10-11-31-22)8-9-21(17-2-1-3-17)24(23)32-14-16-4-6-19(7-5-16)29-15-30/h4-9,12-13,15,17H,1-3,10-11,14H2,(H,27,28)(H,29,30)
InChIKeyPOVIZUUIOYCXEW-UHFFFAOYSA-N
XLogP5.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide 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 N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide?
The IUPAC name of N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide (CID 90324523) is N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide.
What is the SMILES notation for N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide?
The canonical SMILES for N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide is O=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1.
What is the InChIKey of N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide?
The InChIKey is POVIZUUIOYCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-23-20(18-12-22-25(28-13-18)27-10-11-31-22)8-9-21(17-2-1-3-17)24(23)32-14-16-4-6-19(7-5-16)29-15-30/h4-9,12-13,15,17H,1-3,10-11,14H2,(H,27,28)(H,29,30).
What are the key properties of N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide?
N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide has a molecular weight of 433.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl]phenyl]formamide is sourced from PubChem (CID 90324523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).