N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide

C11H16N2O3 — CID 166418490

IUPACN-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ncc(C(C)=O)o1
InChIInChI=1S/C11H16N2O3/c1-4-7(2)5-10(15)13-11-12-6-9(16-11)8(3)14/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyIXPFKZHUXYCVMX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.25
Rot. Bonds5

About N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide

N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide (PubChem CID 166418490) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide
PubChem CID166418490
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ncc(C(C)=O)o1
InChIInChI=1S/C11H16N2O3/c1-4-7(2)5-10(15)13-11-12-6-9(16-11)8(3)14/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyIXPFKZHUXYCVMX-UHFFFAOYSA-N
XLogP2.25
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide?
The IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide (CID 166418490) is N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide is CCC(C)CC(=O)Nc1ncc(C(C)=O)o1.
What is the InChIKey of N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide?
The InChIKey is IXPFKZHUXYCVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-7(2)5-10(15)13-11-12-6-9(16-11)8(3)14/h6-7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide?
N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide has a molecular weight of 224.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 166418490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).