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

C16H15N5O2 — CID 97405912

IUPAC3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(OCc2noc3c2CN(c2ncccn2)CC3)nc1
InChIInChI=1S/C16H15N5O2/c1-2-6-17-15(4-1)22-11-13-12-10-21(9-5-14(12)23-20-13)16-18-7-3-8-19-16/h1-4,6-8H,5,9-11H2
InChIKeyUDFWMIVEMMMYQK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.00
Rot. Bonds4

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

3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405912) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405912
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(OCc2noc3c2CN(c2ncccn2)CC3)nc1
InChIInChI=1S/C16H15N5O2/c1-2-6-17-15(4-1)22-11-13-12-10-21(9-5-14(12)23-20-13)16-18-7-3-8-19-16/h1-4,6-8H,5,9-11H2
InChIKeyUDFWMIVEMMMYQK-UHFFFAOYSA-N
XLogP2.00
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405912) is 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is c1ccc(OCc2noc3c2CN(c2ncccn2)CC3)nc1.
What is the InChIKey of 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is UDFWMIVEMMMYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-6-17-15(4-1)22-11-13-12-10-21(9-5-14(12)23-20-13)16-18-7-3-8-19-16/h1-4,6-8H,5,9-11H2.
What are the key properties of 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 309.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-yloxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).