3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

C12H17N3O2 — CID 166211937

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(C2CC2)no1)N1CCCC1
InChIInChI=1S/C12H17N3O2/c16-11(15-7-1-2-8-15)6-5-10-13-12(14-17-10)9-3-4-9/h9H,1-8H2
InChIKeyPZTIOLVYPVVZJT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.50
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 166211937) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID166211937
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(C2CC2)no1)N1CCCC1
InChIInChI=1S/C12H17N3O2/c16-11(15-7-1-2-8-15)6-5-10-13-12(14-17-10)9-3-4-9/h9H,1-8H2
InChIKeyPZTIOLVYPVVZJT-UHFFFAOYSA-N
XLogP1.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120997409
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 75444755
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577941
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581
2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 97233991

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 166211937) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1nc(C2CC2)no1)N1CCCC1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PZTIOLVYPVVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(15-7-1-2-8-15)6-5-10-13-12(14-17-10)9-3-4-9/h9H,1-8H2.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 166211937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).