(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C18H15NO3 — CID 172561876

IUPAC(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(/C=C2\OC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-13-7-9-14(10-8-13)11-16-17(20)19(18(21)22-16)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b16-11-
InChIKeyUTJZONYRXOXUJI-WJDWOHSUSA-N
MW293.32 g/mol
LogP3.51
Rot. Bonds3

About (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 172561876) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID172561876
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(/C=C2\OC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-13-7-9-14(10-8-13)11-16-17(20)19(18(21)22-16)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b16-11-
InChIKeyUTJZONYRXOXUJI-WJDWOHSUSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
CID 58308923
N-benzyl-4-[(E)-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide
CID 46373336
(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one
CID 28863302
(5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 21018147
methyl (4Z)-1-benzyl-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 715874
3-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 28863327
(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 58785600
N-(3-methylbutyl)-4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide
CID 4253408
1-benzyl-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one
CID 3586048
2-[(2E)-2-benzylidene-6-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 28862926
4-[(E)-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 46373351
4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 4053836

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 172561876) is (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is Cc1ccc(/C=C2\OC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is UTJZONYRXOXUJI-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO3/c1-13-7-9-14(10-8-13)11-16-17(20)19(18(21)22-16)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b16-11-.
What are the key properties of (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 293.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 172561876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).