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

C15H16N2O4 — CID 5309470

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C15H16N2O4/c1-9(2)5-11-7-12(17-21-11)15(18)16-10-3-4-13-14(6-10)20-8-19-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,18)
InChIKeyUMRHLHSVTPHFPQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.85
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309470) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5309470
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C15H16N2O4/c1-9(2)5-11-7-12(17-21-11)15(18)16-10-3-4-13-14(6-10)20-8-19-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,18)
InChIKeyUMRHLHSVTPHFPQ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5309470) is N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UMRHLHSVTPHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)5-11-7-12(17-21-11)15(18)16-10-3-4-13-14(6-10)20-8-19-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.85, 4 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-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).