(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine

C25H20N2O — CID 7123516

IUPAC(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
SMILESc1ccc(C2(c3ccccc3)O[C@@H](c3cccnc3)Nc3ccccc32)cc1
InChIInChI=1S/C25H20N2O/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)22-15-7-8-16-23(22)27-24(28-25)19-10-9-17-26-18-19/h1-18,24,27H/t24-/m0/s1
InChIKeyJYLLEPFNOLJUCW-DEOSSOPVSA-N
MW364.45 g/mol
LogP5.51
Rot. Bonds3

About (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine

(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine (PubChem CID 7123516) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
PubChem CID7123516
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
SMILESc1ccc(C2(c3ccccc3)O[C@@H](c3cccnc3)Nc3ccccc32)cc1
InChIInChI=1S/C25H20N2O/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)22-15-7-8-16-23(22)27-24(28-25)19-10-9-17-26-18-19/h1-18,24,27H/t24-/m0/s1
InChIKeyJYLLEPFNOLJUCW-DEOSSOPVSA-N
XLogP5.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine (CID 7123516) is (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is c1ccc(C2(c3ccccc3)O[C@@H](c3cccnc3)Nc3ccccc32)cc1.
What is the InChIKey of (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is JYLLEPFNOLJUCW-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H20N2O/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)22-15-7-8-16-23(22)27-24(28-25)19-10-9-17-26-18-19/h1-18,24,27H/t24-/m0/s1.
What are the key properties of (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
(2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 364.45 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-diphenyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 7123516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).