4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide

C11H16N2O3 — CID 3029160

IUPAC4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1noc(C)c1C(C)=O
InChIInChI=1S/C11H16N2O3/c1-5-13(6-2)11(15)10-9(7(3)14)8(4)16-12-10/h5-6H2,1-4H3
InChIKeyFJZHVKJXDTWJOG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.67
Rot. Bonds4

About 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide

4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3029160) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3029160
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1noc(C)c1C(C)=O
InChIInChI=1S/C11H16N2O3/c1-5-13(6-2)11(15)10-9(7(3)14)8(4)16-12-10/h5-6H2,1-4H3
InChIKeyFJZHVKJXDTWJOG-UHFFFAOYSA-N
XLogP1.67
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide (CID 3029160) is 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1noc(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FJZHVKJXDTWJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-13(6-2)11(15)10-9(7(3)14)8(4)16-12-10/h5-6H2,1-4H3.
What are the key properties of 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide?
4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,N-diethyl-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3029160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).