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

C16H21N5O2 — CID 110224445

IUPAC[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C16H21N5O2/c1-20-13(6-8-17-20)16(22)21-9-7-12(10-21)15-18-14(19-23-15)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyCKRPEMNZDQNIBA-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.09
Rot. Bonds3

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

[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110224445) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110224445
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(C3CCCC3)no2)C1
InChIInChI=1S/C16H21N5O2/c1-20-13(6-8-17-20)16(22)21-9-7-12(10-21)15-18-14(19-23-15)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyCKRPEMNZDQNIBA-UHFFFAOYSA-N
XLogP2.09
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110224446
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416553
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443
[(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-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110224452
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
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
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110224445) is [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(c2nc(C3CCCC3)no2)C1.
What is the InChIKey of [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is CKRPEMNZDQNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-13(6-8-17-20)16(22)21-9-7-12(10-21)15-18-14(19-23-15)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9-10H2,1H3.
What are the key properties of [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110224445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).