5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide

C15H16N2O5 — CID 46093942

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1c(C)noc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O5/c1-9-13(15(18)16-5-6-19-2)14(22-17-9)10-3-4-11-12(7-10)21-8-20-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyUPSSPRANKBYJIW-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.75
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46093942) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46093942
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1c(C)noc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O5/c1-9-13(15(18)16-5-6-19-2)14(22-17-9)10-3-4-11-12(7-10)21-8-20-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyUPSSPRANKBYJIW-UHFFFAOYSA-N
XLogP1.75
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide 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

5-(1,3-benzodioxol-5-yl)-3-methyl-N-(4-phenylbutyl)-1,2-oxazole-4-carboxamide
CID 46096819
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767319
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767320
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096840
2-[5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82302087
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
CID 82472014
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46097017
N-(2-acetamidoethyl)-6-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide
CID 126472031

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46093942) is 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide is COCCNC(=O)c1c(C)noc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UPSSPRANKBYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-13(15(18)16-5-6-19-2)14(22-17-9)10-3-4-11-12(7-10)21-8-20-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).