5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

C12H16N4O3S — CID 127319300

IUPAC5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(Cn2cccn2)no1)C1CCCC1
InChIInChI=1S/C12H16N4O3S/c17-20(18,10-4-1-2-5-10)9-12-14-11(15-19-12)8-16-7-3-6-13-16/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyILZHETWHSWYBNK-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.17
Rot. Bonds5

About 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 127319300) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID127319300
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(Cn2cccn2)no1)C1CCCC1
InChIInChI=1S/C12H16N4O3S/c17-20(18,10-4-1-2-5-10)9-12-14-11(15-19-12)8-16-7-3-6-13-16/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyILZHETWHSWYBNK-UHFFFAOYSA-N
XLogP1.17
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 71931260
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95347041
3-ethyl-5-[[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97206414
5-[(3S)-1-(2-chlorophenyl)pyrrolidin-3-yl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 125461933
trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
CID 99624823
2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56802310
3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 58523710
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95323445
5-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-ylmethyl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 75374964
[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 121210241
3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 127319300) is 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is O=S(=O)(Cc1nc(Cn2cccn2)no1)C1CCCC1.
What is the InChIKey of 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ILZHETWHSWYBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-20(18,10-4-1-2-5-10)9-12-14-11(15-19-12)8-16-7-3-6-13-16/h3,6-7,10H,1-2,4-5,8-9H2.
What are the key properties of 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 296.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127319300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).