2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide

C10H17N3O3 — CID 146082823

IUPAC2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)C)noc1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)9-12-16-10(15)13(9)5-8(14)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyJMYBGXMVSQCBGW-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.48
Rot. Bonds4

About 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide

2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 146082823) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
PubChem CID146082823
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)C)noc1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)9-12-16-10(15)13(9)5-8(14)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyJMYBGXMVSQCBGW-UHFFFAOYSA-N
XLogP0.48
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide (CID 146082823) is 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(C(C)C)noc1=O.
What is the InChIKey of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is JMYBGXMVSQCBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(2)9-12-16-10(15)13(9)5-8(14)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 227.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 146082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).