5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C16H20N6O3S — CID 129332574

IUPAC5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCN1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H20N6O3S/c1-3-21-6-7-22(10-14(21)15-17-4-5-18-15)26(23,24)12-8-13-11(2)20-25-16(13)19-9-12/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyLAHWTOGLBSHDEF-CQSZACIVSA-N
MW376.44 g/mol
LogP1.32
Rot. Bonds4

About 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine

5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129332574) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129332574
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCN1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H20N6O3S/c1-3-21-6-7-22(10-14(21)15-17-4-5-18-15)26(23,24)12-8-13-11(2)20-25-16(13)19-9-12/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyLAHWTOGLBSHDEF-CQSZACIVSA-N
XLogP1.32
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 129332574) is 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine is CCN1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is LAHWTOGLBSHDEF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-3-21-6-7-22(10-14(21)15-17-4-5-18-15)26(23,24)12-8-13-11(2)20-25-16(13)19-9-12/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 376.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129332574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).