4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one

C11H18N2O2 — CID 142706266

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one
SMILESCCC(CC(C)=O)c1nc(C(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-5-9(6-8(4)14)11-12-10(7(2)3)13-15-11/h7,9H,5-6H2,1-4H3
InChIKeySROSGCOZEYOZPO-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.67
Rot. Bonds5

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one (PubChem CID 142706266) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one
PubChem CID142706266
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one
SMILESCCC(CC(C)=O)c1nc(C(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-5-9(6-8(4)14)11-12-10(7(2)3)13-15-11/h7,9H,5-6H2,1-4H3
InChIKeySROSGCOZEYOZPO-UHFFFAOYSA-N
XLogP2.67
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one (CID 142706266) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one is CCC(CC(C)=O)c1nc(C(C)C)no1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one?
The InChIKey is SROSGCOZEYOZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-9(6-8(4)14)11-12-10(7(2)3)13-15-11/h7,9H,5-6H2,1-4H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one has a molecular weight of 210.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)hexan-2-one is sourced from PubChem (CID 142706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).