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

C15H17N5O5S — CID 128965596

IUPAC3-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
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3cnc4onc(C)c4c3)O2)n1
InChIInChI=1S/C15H17N5O5S/c1-8-12-5-11(7-16-14(12)24-19-8)26(21,22)17-6-10-3-4-13(23-10)15-18-9(2)20-25-15/h5,7,10,13,17H,3-4,6H2,1-2H3/t10-,13+/m1/s1
InChIKeyPVWRRERVIZCGQW-MFKMUULPSA-N
MW379.40 g/mol
LogP1.42
Rot. Bonds5

About 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

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 (PubChem CID 128965596) has the molecular formula C15H17N5O5S and a molecular weight of 379.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID128965596
Molecular FormulaC15H17N5O5S
Molecular Weight379.40 g/mol
Exact Mass379.10
IUPAC Name3-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
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3cnc4onc(C)c4c3)O2)n1
InChIInChI=1S/C15H17N5O5S/c1-8-12-5-11(7-16-14(12)24-19-8)26(21,22)17-6-10-3-4-13(23-10)15-18-9(2)20-25-15/h5,7,10,13,17H,3-4,6H2,1-2H3/t10-,13+/m1/s1
InChIKeyPVWRRERVIZCGQW-MFKMUULPSA-N
XLogP1.42
TPSA133.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3cnc4onc(C)c4c3)O2)n1.
What is the InChIKey of 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?
The InChIKey is PVWRRERVIZCGQW-MFKMUULPSA-N. The full InChI is InChI=1S/C15H17N5O5S/c1-8-12-5-11(7-16-14(12)24-19-8)26(21,22)17-6-10-3-4-13(23-10)15-18-9(2)20-25-15/h5,7,10,13,17H,3-4,6H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 379.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 128965596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).