2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide

C15H24N4O3 — CID 71873973

IUPAC2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(CC)c1cc(C(=O)N2CCN(CC(N)=O)CC2)on1
InChIInChI=1S/C15H24N4O3/c1-3-11(4-2)12-9-13(22-17-12)15(21)19-7-5-18(6-8-19)10-14(16)20/h9,11H,3-8,10H2,1-2H3,(H2,16,20)
InChIKeyBCKQECQWHHPLEB-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide

2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 71873973) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID71873973
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(CC)c1cc(C(=O)N2CCN(CC(N)=O)CC2)on1
InChIInChI=1S/C15H24N4O3/c1-3-11(4-2)12-9-13(22-17-12)15(21)19-7-5-18(6-8-19)10-14(16)20/h9,11H,3-8,10H2,1-2H3,(H2,16,20)
InChIKeyBCKQECQWHHPLEB-UHFFFAOYSA-N
XLogP0.82
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide (CID 71873973) is 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide is CCC(CC)c1cc(C(=O)N2CCN(CC(N)=O)CC2)on1.
What is the InChIKey of 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BCKQECQWHHPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-11(4-2)12-9-13(22-17-12)15(21)19-7-5-18(6-8-19)10-14(16)20/h9,11H,3-8,10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).