(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C15H20N4O5S — CID 129325461

IUPAC(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(CC)no3)C2)cn1
InChIInChI=1S/C15H20N4O5S/c1-3-12-17-14(24-18-12)15(20)7-8-19(10-15)25(21,22)11-5-6-13(16-9-11)23-4-2/h5-6,9,20H,3-4,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyAJTRXUHGVNXVTH-HNNXBMFYSA-N
MW368.42 g/mol
LogP0.71
Rot. Bonds6

About (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 129325461) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID129325461
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(CC)no3)C2)cn1
InChIInChI=1S/C15H20N4O5S/c1-3-12-17-14(24-18-12)15(20)7-8-19(10-15)25(21,22)11-5-6-13(16-9-11)23-4-2/h5-6,9,20H,3-4,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyAJTRXUHGVNXVTH-HNNXBMFYSA-N
XLogP0.71
TPSA118.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide
CID 164635093
3-[6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461397
3-[6-(1-Ethylsulfonylpyrrolidin-3-yl)oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461456
3-[6-(1-Propan-2-ylsulfonylpyrrolidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461501
3-[6-[1-(Benzenesulfonyl)pyrrolidin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461534
3-[6-[(3R)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461583
3-[6-[(3S)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461584
3-[6-[1-(2-Methoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461585
3-[6-(1-Propylsulfonylpyrrolidin-3-yl)oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461592
3-[6-(1-Pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461599
3-[6-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461604
3-[6-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461613

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 129325461) is (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(CC)no3)C2)cn1.
What is the InChIKey of (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is AJTRXUHGVNXVTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-3-12-17-14(24-18-12)15(20)7-8-19(10-15)25(21,22)11-5-6-13(16-9-11)23-4-2/h5-6,9,20H,3-4,7-8,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 368.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129325461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).