5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol

C13H17N3O3 — CID 115742672

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1cc(CNCc2c(CO)cnc(C)c2O)no1
InChIInChI=1S/C13H17N3O3/c1-8-3-11(16-19-8)5-14-6-12-10(7-17)4-15-9(2)13(12)18/h3-4,14,17-18H,5-7H2,1-2H3
InChIKeyXTZFKHSRALCDAO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.17
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 115742672) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
PubChem CID115742672
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1cc(CNCc2c(CO)cnc(C)c2O)no1
InChIInChI=1S/C13H17N3O3/c1-8-3-11(16-19-8)5-14-6-12-10(7-17)4-15-9(2)13(12)18/h3-4,14,17-18H,5-7H2,1-2H3
InChIKeyXTZFKHSRALCDAO-UHFFFAOYSA-N
XLogP1.17
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol (CID 115742672) is 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol is Cc1cc(CNCc2c(CO)cnc(C)c2O)no1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is XTZFKHSRALCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-3-11(16-19-8)5-14-6-12-10(7-17)4-15-9(2)13(12)18/h3-4,14,17-18H,5-7H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 263.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 115742672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).