5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C18H23N5O3S — CID 126801712

IUPAC5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)c2ccccc2n1C
InChIInChI=1S/C18H23N5O3S/c1-12-16(13-8-5-6-9-14(13)22(12)4)27(24,25)23-11-7-10-15(23)17-19-18(20-26-17)21(2)3/h5-6,8-9,15H,7,10-11H2,1-4H3
InChIKeyBMWRHWBYXGHIEP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.46
Rot. Bonds4

About 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 126801712) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID126801712
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)c2ccccc2n1C
InChIInChI=1S/C18H23N5O3S/c1-12-16(13-8-5-6-9-14(13)22(12)4)27(24,25)23-11-7-10-15(23)17-19-18(20-26-17)21(2)3/h5-6,8-9,15H,7,10-11H2,1-4H3
InChIKeyBMWRHWBYXGHIEP-UHFFFAOYSA-N
XLogP2.46
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803186
5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803187
3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131900470
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
3-(3-methylphenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206258
(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
CID 120999176
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
3-(4-chlorophenyl)-5-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206234
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
CID 124605898

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 126801712) is 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is Cc1c(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)c2ccccc2n1C.
What is the InChIKey of 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is BMWRHWBYXGHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-16(13-8-5-6-9-14(13)22(12)4)27(24,25)23-11-7-10-15(23)17-19-18(20-26-17)21(2)3/h5-6,8-9,15H,7,10-11H2,1-4H3.
What are the key properties of 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 389.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 126801712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).