5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C17H17N5O2 — CID 97405943

IUPAC5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1
InChIInChI=1S/C17H17N5O2/c1-12-7-19-17(20-8-12)22-6-4-16-14(10-22)15(21-24-16)11-23-13-3-2-5-18-9-13/h2-3,5,7-9H,4,6,10-11H2,1H3
InChIKeyCKTUDCZRMYFSAD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.31
Rot. Bonds4

About 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405943) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405943
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1
InChIInChI=1S/C17H17N5O2/c1-12-7-19-17(20-8-12)22-6-4-16-14(10-22)15(21-24-16)11-23-13-3-2-5-18-9-13/h2-3,5,7-9H,4,6,10-11H2,1H3
InChIKeyCKTUDCZRMYFSAD-UHFFFAOYSA-N
XLogP2.31
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405943) is 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1.
What is the InChIKey of 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is CKTUDCZRMYFSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-7-19-17(20-8-12)22-6-4-16-14(10-22)15(21-24-16)11-23-13-3-2-5-18-9-13/h2-3,5,7-9H,4,6,10-11H2,1H3.
What are the key properties of 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 323.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).