2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine

C16H15F3N2O — CID 175872654

IUPAC2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine
SMILESFC(F)(F)c1cccc(C2CCNCc3cccnc3O2)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-5-1-3-11(9-13)14-6-8-20-10-12-4-2-7-21-15(12)22-14/h1-5,7,9,14,20H,6,8,10H2
InChIKeyLBXKFDBNDUSYOH-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.71
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine

2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine (PubChem CID 175872654) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine
PubChem CID175872654
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine
SMILESFC(F)(F)c1cccc(C2CCNCc3cccnc3O2)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-5-1-3-11(9-13)14-6-8-20-10-12-4-2-7-21-15(12)22-14/h1-5,7,9,14,20H,6,8,10H2
InChIKeyLBXKFDBNDUSYOH-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine (CID 175872654) is 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine is FC(F)(F)c1cccc(C2CCNCc3cccnc3O2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine?
The InChIKey is LBXKFDBNDUSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)13-5-1-3-11(9-13)14-6-8-20-10-12-4-2-7-21-15(12)22-14/h1-5,7,9,14,20H,6,8,10H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine?
2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine has a molecular weight of 308.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine is sourced from PubChem (CID 175872654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).