3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one

C20H29N3O3 — CID 128538430

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
SMILESO=C(CCc1nc(C2CCCC2)no1)N1CC2(CCOCC2)C1C1CC1
InChIInChI=1S/C20H29N3O3/c24-17(8-7-16-21-19(22-26-16)15-3-1-2-4-15)23-13-20(9-11-25-12-10-20)18(23)14-5-6-14/h14-15,18H,1-13H2
InChIKeyXQLFPMZPPWJTDE-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.08
Rot. Bonds5

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one (PubChem CID 128538430) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
PubChem CID128538430
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
SMILESO=C(CCc1nc(C2CCCC2)no1)N1CC2(CCOCC2)C1C1CC1
InChIInChI=1S/C20H29N3O3/c24-17(8-7-16-21-19(22-26-16)15-3-1-2-4-15)23-13-20(9-11-25-12-10-20)18(23)14-5-6-14/h14-15,18H,1-13H2
InChIKeyXQLFPMZPPWJTDE-UHFFFAOYSA-N
XLogP3.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one (CID 128538430) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one is O=C(CCc1nc(C2CCCC2)no1)N1CC2(CCOCC2)C1C1CC1.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one?
The InChIKey is XQLFPMZPPWJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-17(8-7-16-21-19(22-26-16)15-3-1-2-4-15)23-13-20(9-11-25-12-10-20)18(23)14-5-6-14/h14-15,18H,1-13H2.
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one is sourced from PubChem (CID 128538430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).