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

C15H16N2O4 — CID 4524979

IUPAC5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-3-17(4-2)15(18)11-8-13(21-16-11)10-5-6-12-14(7-10)20-9-19-12/h5-8H,3-4,9H2,1-2H3
InChIKeyLFCBSPFRBQJCNX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.55
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide (PubChem CID 4524979) 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,N-diethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide
PubChem CID4524979
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-3-17(4-2)15(18)11-8-13(21-16-11)10-5-6-12-14(7-10)20-9-19-12/h5-8H,3-4,9H2,1-2H3
InChIKeyLFCBSPFRBQJCNX-UHFFFAOYSA-N
XLogP2.55
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide (CID 4524979) is 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide?
The InChIKey is LFCBSPFRBQJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-17(4-2)15(18)11-8-13(21-16-11)10-5-6-12-14(7-10)20-9-19-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N,N-diethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4524979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).