3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole

C17H23N3O2 — CID 156522726

IUPAC3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(C2CC2CC(C)c2nc(C3CC3)no2)no1
InChIInChI=1S/C17H23N3O2/c1-9(2)15-8-14(19-21-15)13-7-12(13)6-10(3)17-18-16(20-22-17)11-4-5-11/h8-13H,4-7H2,1-3H3
InChIKeyFKZVVPIPAZUICJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.36
Rot. Bonds6

About 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole (PubChem CID 156522726) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole
PubChem CID156522726
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(C2CC2CC(C)c2nc(C3CC3)no2)no1
InChIInChI=1S/C17H23N3O2/c1-9(2)15-8-14(19-21-15)13-7-12(13)6-10(3)17-18-16(20-22-17)11-4-5-11/h8-13H,4-7H2,1-3H3
InChIKeyFKZVVPIPAZUICJ-UHFFFAOYSA-N
XLogP4.36
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole (CID 156522726) is 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole is CC(C)c1cc(C2CC2CC(C)c2nc(C3CC3)no2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is FKZVVPIPAZUICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-9(2)15-8-14(19-21-15)13-7-12(13)6-10(3)17-18-16(20-22-17)11-4-5-11/h8-13H,4-7H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)cyclopropyl]propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 156522726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).