5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide

C18H23N3O4 — CID 17252939

IUPAC5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C18H23N3O4/c1-3-21(4-2)9-5-8-19-18(22)14-11-16(25-20-14)13-6-7-15-17(10-13)24-12-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,22)
InChIKeyJRNKSWXYAUITOW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.53
Rot. Bonds8

About 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 17252939) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID17252939
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C18H23N3O4/c1-3-21(4-2)9-5-8-19-18(22)14-11-16(25-20-14)13-6-7-15-17(10-13)24-12-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,22)
InChIKeyJRNKSWXYAUITOW-UHFFFAOYSA-N
XLogP2.53
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.53
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-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 17252939) is 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide is CCN(CC)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JRNKSWXYAUITOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-21(4-2)9-5-8-19-18(22)14-11-16(25-20-14)13-6-7-15-17(10-13)24-12-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,22).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.53, 8 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-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).