6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol

C15H20N4O3 — CID 128994012

IUPAC6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC[C@H]2CC[C@@H](c3nc(C)no3)O2)n1
InChIInChI=1S/C15H20N4O3/c1-9-3-5-13(20)12(17-9)8-16-7-11-4-6-14(21-11)15-18-10(2)19-22-15/h3,5,11,14,16,20H,4,6-8H2,1-2H3/t11-,14+/m1/s1
InChIKeyOFMANAZPAVBQFT-RISCZKNCSA-N
MW304.35 g/mol
LogP1.80
Rot. Bonds5

About 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol

6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol (PubChem CID 128994012) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
PubChem CID128994012
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC[C@H]2CC[C@@H](c3nc(C)no3)O2)n1
InChIInChI=1S/C15H20N4O3/c1-9-3-5-13(20)12(17-9)8-16-7-11-4-6-14(21-11)15-18-10(2)19-22-15/h3,5,11,14,16,20H,4,6-8H2,1-2H3/t11-,14+/m1/s1
InChIKeyOFMANAZPAVBQFT-RISCZKNCSA-N
XLogP1.80
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol (CID 128994012) is 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNC[C@H]2CC[C@@H](c3nc(C)no3)O2)n1.
What is the InChIKey of 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol?
The InChIKey is OFMANAZPAVBQFT-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-3-5-13(20)12(17-9)8-16-7-11-4-6-14(21-11)15-18-10(2)19-22-15/h3,5,11,14,16,20H,4,6-8H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol?
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol has a molecular weight of 304.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 128994012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).