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

C16H17N3O4 — CID 3611652

IUPACN-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H17N3O4/c20-15(18-11-3-4-13-14(6-11)23-9-22-13)12-8-21-16(19-12)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7,9H2,(H,18,20)
InChIKeyVFIWKOYAVYALNN-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.12
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3611652) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3611652
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H17N3O4/c20-15(18-11-3-4-13-14(6-11)23-9-22-13)12-8-21-16(19-12)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7,9H2,(H,18,20)
InChIKeyVFIWKOYAVYALNN-UHFFFAOYSA-N
XLogP2.12
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3611652) is N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VFIWKOYAVYALNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(18-11-3-4-13-14(6-11)23-9-22-13)12-8-21-16(19-12)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7,9H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3611652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).