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

C15H16N2O4 — CID 15993269

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-9(2)7-16-15(18)11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyUBWLANANFVLYKH-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.46
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 15993269) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID15993269
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-9(2)7-16-15(18)11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyUBWLANANFVLYKH-UHFFFAOYSA-N
XLogP2.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 15993269) is 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UBWLANANFVLYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)7-16-15(18)11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15993269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).