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

C15H17N5O5S — CID 128973964

IUPAC5-[(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
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc3onc(C)c3c2)C1
InChIInChI=1S/C15H17N5O5S/c1-8-12-5-11(6-16-14(12)24-18-8)26(21,22)20-7-10(23-3)4-13(20)15-17-9(2)19-25-15/h5-6,10,13H,4,7H2,1-3H3/t10-,13+/m0/s1
InChIKeyDTJBRZCPLYQOMG-GXFFZTMASA-N
MW379.40 g/mol
LogP1.37
Rot. Bonds4

About 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

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 (PubChem CID 128973964) has the molecular formula C15H17N5O5S and a molecular weight of 379.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID128973964
Molecular FormulaC15H17N5O5S
Molecular Weight379.40 g/mol
Exact Mass379.10
IUPAC Name5-[(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
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc3onc(C)c3c2)C1
InChIInChI=1S/C15H17N5O5S/c1-8-12-5-11(6-16-14(12)24-18-8)26(21,22)20-7-10(23-3)4-13(20)15-17-9(2)19-25-15/h5-6,10,13H,4,7H2,1-3H3/t10-,13+/m0/s1
InChIKeyDTJBRZCPLYQOMG-GXFFZTMASA-N
XLogP1.37
TPSA124.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 119969885
3-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 128965596
(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
CID 98853522
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
2-[4-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]acetic acid
CID 136583905
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
CID 120876154
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,4S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005669
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc3onc(C)c3c2)C1.
What is the InChIKey of 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?
The InChIKey is DTJBRZCPLYQOMG-GXFFZTMASA-N. The full InChI is InChI=1S/C15H17N5O5S/c1-8-12-5-11(6-16-14(12)24-18-8)26(21,22)20-7-10(23-3)4-13(20)15-17-9(2)19-25-15/h5-6,10,13H,4,7H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 379.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 128973964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).