6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine

C18H15N5O3 — CID 166038673

IUPAC6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(COc2cnc3oc(-c4ccnc(C)n4)nc3c2)nc1
InChIInChI=1S/C18H15N5O3/c1-11-19-6-5-15(22-11)18-23-16-7-14(9-21-17(16)26-18)25-10-12-3-4-13(24-2)8-20-12/h3-9H,10H2,1-2H3
InChIKeyUKXSPUCTXCGQQR-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.97
Rot. Bonds5

About 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine

6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 166038673) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID166038673
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(COc2cnc3oc(-c4ccnc(C)n4)nc3c2)nc1
InChIInChI=1S/C18H15N5O3/c1-11-19-6-5-15(22-11)18-23-16-7-14(9-21-17(16)26-18)25-10-12-3-4-13(24-2)8-20-12/h3-9H,10H2,1-2H3
InChIKeyUKXSPUCTXCGQQR-UHFFFAOYSA-N
XLogP2.97
TPSA96.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 166038673) is 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine is COc1ccc(COc2cnc3oc(-c4ccnc(C)n4)nc3c2)nc1.
What is the InChIKey of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is UKXSPUCTXCGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-11-19-6-5-15(22-11)18-23-16-7-14(9-21-17(16)26-18)25-10-12-3-4-13(24-2)8-20-12/h3-9H,10H2,1-2H3.
What are the key properties of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 349.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 166038673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).