N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C17H19N3O4 — CID 20950983

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(CN2CCCC2)on1
InChIInChI=1S/C17H19N3O4/c21-17(14-10-13(24-19-14)11-20-5-1-2-6-20)18-12-3-4-15-16(9-12)23-8-7-22-15/h3-4,9-10H,1-2,5-8,11H2,(H,18,21)
InChIKeyHSARPWDCOZLDKC-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.29
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 20950983) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID20950983
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(CN2CCCC2)on1
InChIInChI=1S/C17H19N3O4/c21-17(14-10-13(24-19-14)11-20-5-1-2-6-20)18-12-3-4-15-16(9-12)23-8-7-22-15/h3-4,9-10H,1-2,5-8,11H2,(H,18,21)
InChIKeyHSARPWDCOZLDKC-UHFFFAOYSA-N
XLogP2.29
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 20950983) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(CN2CCCC2)on1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HSARPWDCOZLDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-17(14-10-13(24-19-14)11-20-5-1-2-6-20)18-12-3-4-15-16(9-12)23-8-7-22-15/h3-4,9-10H,1-2,5-8,11H2,(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20950983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).