7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C25H22F4N2O2 — CID 90311013

IUPAC7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F4N2O2/c26-22-19(17-12-21-24(31-13-17)30-10-11-32-21)8-9-20(16-2-1-3-16)23(22)33-14-15-4-6-18(7-5-15)25(27,28)29/h4-9,12-13,16H,1-3,10-11,14H2,(H,30,31)
InChIKeyUCGCIERASFQKNF-UHFFFAOYSA-N
MW458.46 g/mol
LogP6.56
Rot. Bonds5

About 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 90311013) has the molecular formula C25H22F4N2O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID90311013
Molecular FormulaC25H22F4N2O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F4N2O2/c26-22-19(17-12-21-24(31-13-17)30-10-11-32-21)8-9-20(16-2-1-3-16)23(22)33-14-15-4-6-18(7-5-15)25(27,28)29/h4-9,12-13,16H,1-3,10-11,14H2,(H,30,31)
InChIKeyUCGCIERASFQKNF-UHFFFAOYSA-N
XLogP6.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine 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-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 90311013) is 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is UCGCIERASFQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O2/c26-22-19(17-12-21-24(31-13-17)30-10-11-32-21)8-9-20(16-2-1-3-16)23(22)33-14-15-4-6-18(7-5-15)25(27,28)29/h4-9,12-13,16H,1-3,10-11,14H2,(H,30,31).
What are the key properties of 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 458.46 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-cyclobutyl-2-fluoro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 90311013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).