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

C24H19NO2 — CID 40527431

IUPAC(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine
SMILESc1ccc(C2(c3ccccc3)O[C@@H](c3ccco3)Nc3ccccc32)cc1
InChIInChI=1S/C24H19NO2/c1-3-10-18(11-4-1)24(19-12-5-2-6-13-19)20-14-7-8-15-21(20)25-23(27-24)22-16-9-17-26-22/h1-17,23,25H/t23-/m0/s1
InChIKeyDCZHJBLDUSQNDJ-QHCPKHFHSA-N
MW353.42 g/mol
LogP5.71
Rot. Bonds3

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

(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine (PubChem CID 40527431) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine
PubChem CID40527431
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine
SMILESc1ccc(C2(c3ccccc3)O[C@@H](c3ccco3)Nc3ccccc32)cc1
InChIInChI=1S/C24H19NO2/c1-3-10-18(11-4-1)24(19-12-5-2-6-13-19)20-14-7-8-15-21(20)25-23(27-24)22-16-9-17-26-22/h1-17,23,25H/t23-/m0/s1
InChIKeyDCZHJBLDUSQNDJ-QHCPKHFHSA-N
XLogP5.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine (CID 40527431) is (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine is c1ccc(C2(c3ccccc3)O[C@@H](c3ccco3)Nc3ccccc32)cc1.
What is the InChIKey of (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is DCZHJBLDUSQNDJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H19NO2/c1-3-10-18(11-4-1)24(19-12-5-2-6-13-19)20-14-7-8-15-21(20)25-23(27-24)22-16-9-17-26-22/h1-17,23,25H/t23-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine?
(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 353.42 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 40527431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).