5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C17H21N3O5S — CID 129337881

IUPAC5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1
InChIInChI=1S/C17H21N3O5S/c1-10-6-12-7-14(4-5-16(12)24-10)26(21,22)20-9-13(23-3)8-15(20)17-18-11(2)19-25-17/h4-5,7,10,13,15H,6,8-9H2,1-3H3/t10-,13+,15-/m1/s1
InChIKeySVIQDUPRTQTQLA-RIEGTJTDSA-N
MW379.44 g/mol
LogP1.85
Rot. Bonds4

About 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129337881) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129337881
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1
InChIInChI=1S/C17H21N3O5S/c1-10-6-12-7-14(4-5-16(12)24-10)26(21,22)20-9-13(23-3)8-15(20)17-18-11(2)19-25-17/h4-5,7,10,13,15H,6,8-9H2,1-3H3/t10-,13+,15-/m1/s1
InChIKeySVIQDUPRTQTQLA-RIEGTJTDSA-N
XLogP1.85
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 128973964
5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128998117
5-[(2R,4S)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005401
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
(2S)-1-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 100629190
5-[(2R,4R)-4-methoxy-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473
2-methoxy-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 128998715
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
2-[benzyl(methyl)amino]-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 129004728

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129337881) is 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1.
What is the InChIKey of 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is SVIQDUPRTQTQLA-RIEGTJTDSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-10-6-12-7-14(4-5-16(12)24-10)26(21,22)20-9-13(23-3)8-15(20)17-18-11(2)19-25-17/h4-5,7,10,13,15H,6,8-9H2,1-3H3/t10-,13+,15-/m1/s1.
What are the key properties of 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 379.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129337881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).