N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C17H21N5O4S — CID 129005329

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc3onc(C)c3c2)cn1
InChIInChI=1S/C17H21N5O4S/c1-3-22-10-12(8-19-22)16-15(5-4-6-25-16)21-27(23,24)13-7-14-11(2)20-26-17(14)18-9-13/h7-10,15-16,21H,3-6H2,1-2H3/t15-,16+/m0/s1
InChIKeyUQJFFQDMJFVJIF-JKSUJKDBSA-N
MW391.45 g/mol
LogP1.95
Rot. Bonds5

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 129005329) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID129005329
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc3onc(C)c3c2)cn1
InChIInChI=1S/C17H21N5O4S/c1-3-22-10-12(8-19-22)16-15(5-4-6-25-16)21-27(23,24)13-7-14-11(2)20-26-17(14)18-9-13/h7-10,15-16,21H,3-6H2,1-2H3/t15-,16+/m0/s1
InChIKeyUQJFFQDMJFVJIF-JKSUJKDBSA-N
XLogP1.95
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-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

Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128996117
(2S)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129330114
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
CID 166308374
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 129005329) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cnc3onc(C)c3c2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is UQJFFQDMJFVJIF-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-3-22-10-12(8-19-22)16-15(5-4-6-25-16)21-27(23,24)13-7-14-11(2)20-26-17(14)18-9-13/h7-10,15-16,21H,3-6H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 129005329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).