3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

C20H23NO — CID 155405647

IUPAC3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESc1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1
InChIInChI=1S/C20H23NO/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyWZPFKGYXBAIAAQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.28
Rot. Bonds2

About 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (PubChem CID 155405647) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
PubChem CID155405647
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESc1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1
InChIInChI=1S/C20H23NO/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyWZPFKGYXBAIAAQ-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The IUPAC name of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (CID 155405647) is 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The canonical SMILES for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is c1ccc(-c2ccc(C3CN4CCCCC4CO3)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The InChIKey is WZPFKGYXBAIAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-6-16(7-3-1)17-9-11-18(12-10-17)20-14-21-13-5-4-8-19(21)15-22-20/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2.
What are the key properties of 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine has a molecular weight of 293.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is sourced from PubChem (CID 155405647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).