methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate

C18H15NO5 — CID 76625275

IUPACmethyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)OC(=Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C18H15NO5/c1-23-16(20)8-9-19-17(21)15(24-18(19)22)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10-11H,8-9H2,1H3
InChIKeyHKTZPXRUQBXUMP-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.72
Rot. Bonds4

About methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate

methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate (PubChem CID 76625275) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
PubChem CID76625275
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Namemethyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)OC(=Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C18H15NO5/c1-23-16(20)8-9-19-17(21)15(24-18(19)22)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10-11H,8-9H2,1H3
InChIKeyHKTZPXRUQBXUMP-UHFFFAOYSA-N
XLogP2.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate 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

methyl 2-[2-[(3-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 5049337
methyl 3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19172927
naphthalen-2-yl 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7926836
(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 172561876
3-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 28863327
(5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 21018147
methyl 3-[5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2789997
3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 76826435
(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
CID 158130441
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate (CID 76625275) is methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate is COC(=O)CCN1C(=O)OC(=Cc2ccc3ccccc3c2)C1=O.
What is the InChIKey of methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is HKTZPXRUQBXUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-16(20)8-9-19-17(21)15(24-18(19)22)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10-11H,8-9H2,1H3.
What are the key properties of methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?
methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 325.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 76625275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).