3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C19H29N3O2 — CID 110224458

IUPAC3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C19H29N3O2/c23-17(10-9-14-5-1-2-6-14)22-12-11-16(13-22)19-20-18(21-24-19)15-7-3-4-8-15/h14-16H,1-13H2
InChIKeyIXIKPVZWIMAXEC-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.01
Rot. Bonds5

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

3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110224458) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110224458
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C19H29N3O2/c23-17(10-9-14-5-1-2-6-14)22-12-11-16(13-22)19-20-18(21-24-19)15-7-3-4-8-15/h14-16H,1-13H2
InChIKeyIXIKPVZWIMAXEC-UHFFFAOYSA-N
XLogP4.01
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
3-cyclopentyl-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-1-one
CID 91918900
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92567947
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
3-cyclopentyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 3226200
7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
CID 129467476
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110224445
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110224446

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 110224458) is 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(c2nc(C3CCCC3)no2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is IXIKPVZWIMAXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-17(10-9-14-5-1-2-6-14)22-12-11-16(13-22)19-20-18(21-24-19)15-7-3-4-8-15/h14-16H,1-13H2.
What are the key properties of 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110224458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).