3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole

C19H26N2O4S — CID 167777452

IUPAC3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole
SMILESCOCC(C)Cc1noc(C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)n1
InChIInChI=1S/C19H26N2O4S/c1-14-6-8-16(9-7-14)26(22,23)19(10-4-5-11-19)18-20-17(21-25-18)12-15(2)13-24-3/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyIMSRBGIWFCALMM-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.45
Rot. Bonds7

About 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole

3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole (PubChem CID 167777452) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole
PubChem CID167777452
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole
SMILESCOCC(C)Cc1noc(C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)n1
InChIInChI=1S/C19H26N2O4S/c1-14-6-8-16(9-7-14)26(22,23)19(10-4-5-11-19)18-20-17(21-25-18)12-15(2)13-24-3/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyIMSRBGIWFCALMM-UHFFFAOYSA-N
XLogP3.45
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(4-chlorophenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866148
1-[5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862219
N-methyl-1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868305
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867807
1-[5-[1-(4-chlorophenyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869326
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
CID 120853109
N-[(1R,6R)-12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl]-4-methylbenzenesulfonamide
CID 98163684
3-[(2-chlorophenyl)methyl]-5-(1-methylsulfonylcyclobutyl)-1,2,4-oxadiazole
CID 131961736
ethyl 1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79472487
(1R)-1-[(2S)-2-(4-methylphenyl)sulfonyl-1-oxaspiro[2.5]octan-2-yl]propan-1-ol
CID 11652739

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole (CID 167777452) is 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole is COCC(C)Cc1noc(C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)n1.
What is the InChIKey of 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole?
The InChIKey is IMSRBGIWFCALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14-6-8-16(9-7-14)26(22,23)19(10-4-5-11-19)18-20-17(21-25-18)12-15(2)13-24-3/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole?
3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole has a molecular weight of 378.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylpropyl)-5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167777452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).