1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C18H19N3O2 — CID 119039364

IUPAC1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3(c4ccccc4)CC3)n2)CN1C1CC1
InChIInChI=1S/C18H19N3O2/c22-15-10-12(11-21(15)14-6-7-14)16-19-17(23-20-16)18(8-9-18)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyDRVJLHJMKAGOSR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 119039364) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID119039364
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1CC(c2noc(C3(c4ccccc4)CC3)n2)CN1C1CC1
InChIInChI=1S/C18H19N3O2/c22-15-10-12(11-21(15)14-6-7-14)16-19-17(23-20-16)18(8-9-18)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyDRVJLHJMKAGOSR-UHFFFAOYSA-N
XLogP2.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 148758090
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CID 148982770
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CID 148982771
US11433053, Example 239
CID 155265781
US11433053, Example 220
CID 155265846
US11433053, Example 151
CID 155266072
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxo-3-pyrrolidinecarboxamide
CID 70750335
3-[1-[(5-Benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 72138277
N-[(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-YL)acetamide
CID 72870124
1-[4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-2-(4-fluorophenyl)-1-ethanone
CID 87051819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 119039364) is 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is O=C1CC(c2noc(C3(c4ccccc4)CC3)n2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is DRVJLHJMKAGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-15-10-12(11-21(15)14-6-7-14)16-19-17(23-20-16)18(8-9-18)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 119039364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).