2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one

C21H18N2O4 — CID 73399454

IUPAC2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=Cc3cn(C)c4ccccc34)C(=O)O2)cc1OC
InChIInChI=1S/C21H18N2O4/c1-23-12-14(15-6-4-5-7-17(15)23)10-16-21(24)27-20(22-16)13-8-9-18(25-2)19(11-13)26-3/h4-12H,1-3H3
InChIKeyFGYAMGKZRAUCIR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.54
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one

2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 73399454) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one
PubChem CID73399454
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=Cc3cn(C)c4ccccc34)C(=O)O2)cc1OC
InChIInChI=1S/C21H18N2O4/c1-23-12-14(15-6-4-5-7-17(15)23)10-16-21(24)27-20(22-16)13-8-9-18(25-2)19(11-13)26-3/h4-12H,1-3H3
InChIKeyFGYAMGKZRAUCIR-UHFFFAOYSA-N
XLogP3.54
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one 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

2-(3,4-dimethoxyphenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 1108514
2-(3,4-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4132107
2-(3,4-dimethoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4516440
(4E)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 8902893
(4E)-4-[(2,3-dichlorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-one
CID 46368712
(4Z)-2-(3,4-dimethoxyphenyl)-4-[(2,4,6-trimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937529
(4Z)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 9313690
4-[(4-bromothiophen-2-yl)methylidene]-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-one
CID 3687223
(4Z)-2-(3-bromo-4-methoxyphenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 6031240
(4Z)-2-(3,4-dichlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6990388
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
2-(3,4-diethoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4297611

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one (CID 73399454) is 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one is COc1ccc(C2=NC(=Cc3cn(C)c4ccccc34)C(=O)O2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is FGYAMGKZRAUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-23-12-14(15-6-4-5-7-17(15)23)10-16-21(24)27-20(22-16)13-8-9-18(25-2)19(11-13)26-3/h4-12H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one?
2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 362.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[(1-methylindol-3-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 73399454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).