5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C18H21N5O3S — CID 124951620

IUPAC5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-12-4-6-14(7-5-12)17-20-18(26-21-17)15-8-9-23(11-15)27(24,25)16-10-19-22(3)13(16)2/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyDIZUUMRHBNMXGP-OAHLLOKOSA-N
MW387.47 g/mol
LogP2.27
Rot. Bonds4

About 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 124951620) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID124951620
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-12-4-6-14(7-5-12)17-20-18(26-21-17)15-8-9-23(11-15)27(24,25)16-10-19-22(3)13(16)2/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyDIZUUMRHBNMXGP-OAHLLOKOSA-N
XLogP2.27
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
3-(4-methylphenyl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456647
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 47092466
2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 92595356
5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46300189
5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 46096596
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112505
3-(4-tert-butylphenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 99964220
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 124951620) is 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)n2)cc1.
What is the InChIKey of 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is DIZUUMRHBNMXGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-4-6-14(7-5-12)17-20-18(26-21-17)15-8-9-23(11-15)27(24,25)16-10-19-22(3)13(16)2/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 387.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 124951620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).