(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine

C23H21NO — CID 15488345

IUPAC(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine
SMILESCc1ccc(/C=C2/CN(Cc3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C23H21NO/c1-18-11-13-19(14-12-18)15-21-17-24(16-20-7-3-2-4-8-20)22-9-5-6-10-23(22)25-21/h2-15H,16-17H2,1H3/b21-15-
InChIKeyAROVXWVJFFZNFN-QNGOZBTKSA-N
MW327.43 g/mol
LogP5.44
Rot. Bonds3

About (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine

(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine (PubChem CID 15488345) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine.

Molecular Properties

Compound Name(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine
PubChem CID15488345
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine
SMILESCc1ccc(/C=C2/CN(Cc3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C23H21NO/c1-18-11-13-19(14-12-18)15-21-17-24(16-20-7-3-2-4-8-20)22-9-5-6-10-23(22)25-21/h2-15H,16-17H2,1H3/b21-15-
InChIKeyAROVXWVJFFZNFN-QNGOZBTKSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine?
The IUPAC name of (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine (CID 15488345) is (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine.
What is the SMILES notation for (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine?
The canonical SMILES for (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine is Cc1ccc(/C=C2/CN(Cc3ccccc3)c3ccccc3O2)cc1.
What is the InChIKey of (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine?
The InChIKey is AROVXWVJFFZNFN-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H21NO/c1-18-11-13-19(14-12-18)15-21-17-24(16-20-7-3-2-4-8-20)22-9-5-6-10-23(22)25-21/h2-15H,16-17H2,1H3/b21-15-.
What are the key properties of (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine?
(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine has a molecular weight of 327.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine is sourced from PubChem (CID 15488345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).