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

C17H17N3O3 — CID 97405929

IUPAC5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1cncc(OCc2noc3c2CN(Cc2ccoc2)CC3)c1
InChIInChI=1S/C17H17N3O3/c1-2-14(8-18-5-1)22-12-16-15-10-20(6-3-17(15)23-19-16)9-13-4-7-21-11-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2
InChIKeyZLZNJEVDUWEEPF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.80
Rot. Bonds5

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

5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405929) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405929
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1cncc(OCc2noc3c2CN(Cc2ccoc2)CC3)c1
InChIInChI=1S/C17H17N3O3/c1-2-14(8-18-5-1)22-12-16-15-10-20(6-3-17(15)23-19-16)9-13-4-7-21-11-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2
InChIKeyZLZNJEVDUWEEPF-UHFFFAOYSA-N
XLogP2.80
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405929) is 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is c1cncc(OCc2noc3c2CN(Cc2ccoc2)CC3)c1.
What is the InChIKey of 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is ZLZNJEVDUWEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-14(8-18-5-1)22-12-16-15-10-20(6-3-17(15)23-19-16)9-13-4-7-21-11-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2.
What are the key properties of 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 311.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).