5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H17N3O2 — CID 175290558

IUPAC5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)noc1C=Cc1ccccc1N
InChIInChI=1S/C19H17N3O2/c1-21-19(23)17-16(12-11-13-7-5-6-10-15(13)20)24-22-18(17)14-8-3-2-4-9-14/h2-12H,20H2,1H3,(H,21,23)
InChIKeyUZJAWVMTXJCDRN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.45
Rot. Bonds4

About 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide

5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 175290558) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID175290558
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)noc1C=Cc1ccccc1N
InChIInChI=1S/C19H17N3O2/c1-21-19(23)17-16(12-11-13-7-5-6-10-15(13)20)24-22-18(17)14-8-3-2-4-9-14/h2-12H,20H2,1H3,(H,21,23)
InChIKeyUZJAWVMTXJCDRN-UHFFFAOYSA-N
XLogP3.45
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 175290558) is 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CNC(=O)c1c(-c2ccccc2)noc1C=Cc1ccccc1N.
What is the InChIKey of 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is UZJAWVMTXJCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-19(23)17-16(12-11-13-7-5-6-10-15(13)20)24-22-18(17)14-8-3-2-4-9-14/h2-12H,20H2,1H3,(H,21,23).
What are the key properties of 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminophenyl)ethenyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175290558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).