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

C14H14N2O4 — CID 5308918

IUPACN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H14N2O4/c1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyHHYLQSGECZDASJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.78
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5308918) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5308918
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H14N2O4/c1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyHHYLQSGECZDASJ-UHFFFAOYSA-N
XLogP2.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-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-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5308918) is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HHYLQSGECZDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).