5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole

C17H28N4O — CID 170066966

IUPAC5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1ccn(C(C)CCC(C)c2noc(C(C)C)n2)n1
InChIInChI=1S/C17H28N4O/c1-11(2)15-9-10-21(19-15)14(6)8-7-13(5)16-18-17(12(3)4)22-20-16/h9-14H,7-8H2,1-6H3
InChIKeyGIHKOWYIPUJYDC-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.66
Rot. Bonds7

About 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole

5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole (PubChem CID 170066966) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole
PubChem CID170066966
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1ccn(C(C)CCC(C)c2noc(C(C)C)n2)n1
InChIInChI=1S/C17H28N4O/c1-11(2)15-9-10-21(19-15)14(6)8-7-13(5)16-18-17(12(3)4)22-20-16/h9-14H,7-8H2,1-6H3
InChIKeyGIHKOWYIPUJYDC-UHFFFAOYSA-N
XLogP4.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole (CID 170066966) is 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole is CC(C)c1ccn(C(C)CCC(C)c2noc(C(C)C)n2)n1.
What is the InChIKey of 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole?
The InChIKey is GIHKOWYIPUJYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(2)15-9-10-21(19-15)14(6)8-7-13(5)16-18-17(12(3)4)22-20-16/h9-14H,7-8H2,1-6H3.
What are the key properties of 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole has a molecular weight of 304.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[5-(3-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 170066966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).