[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H19N5O2 — CID 92567947

IUPAC[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC[C@H](c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C15H19N5O2/c21-15(12-5-7-16-18-12)20-8-6-11(9-20)14-17-13(19-22-14)10-3-1-2-4-10/h5,7,10-11H,1-4,6,8-9H2,(H,16,18)/t11-/m0/s1
InChIKeySBIYTAGSTJCFSF-NSHDSACASA-N
MW301.35 g/mol
LogP2.08
Rot. Bonds3

About [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 92567947) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID92567947
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC[C@H](c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C15H19N5O2/c21-15(12-5-7-16-18-12)20-8-6-11(9-20)14-17-13(19-22-14)10-3-1-2-4-10/h5,7,10-11H,1-4,6,8-9H2,(H,16,18)/t11-/m0/s1
InChIKeySBIYTAGSTJCFSF-NSHDSACASA-N
XLogP2.08
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[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]-(3-methylphenyl)methanone
CID 110224452
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110224446
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
1,3-benzodioxol-5-yl-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 71837275
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 92567947) is [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CC[C@H](c2nc(C3CCCC3)no2)C1.
What is the InChIKey of [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is SBIYTAGSTJCFSF-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(12-5-7-16-18-12)20-8-6-11(9-20)14-17-13(19-22-14)10-3-1-2-4-10/h5,7,10-11H,1-4,6,8-9H2,(H,16,18)/t11-/m0/s1.
What are the key properties of [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 92567947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).