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

C16H14FN5O2 — CID 97405939

IUPAC5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1
InChIInChI=1S/C16H14FN5O2/c17-11-6-19-16(20-7-11)22-5-3-15-13(9-22)14(21-24-15)10-23-12-2-1-4-18-8-12/h1-2,4,6-8H,3,5,9-10H2
InChIKeyDXGUMHUJCZDNCL-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.14
Rot. Bonds4

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

5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405939) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405939
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1
InChIInChI=1S/C16H14FN5O2/c17-11-6-19-16(20-7-11)22-5-3-15-13(9-22)14(21-24-15)10-23-12-2-1-4-18-8-12/h1-2,4,6-8H,3,5,9-10H2
InChIKeyDXGUMHUJCZDNCL-UHFFFAOYSA-N
XLogP2.14
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405939) is 5-(5-fluoropyrimidin-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-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is DXGUMHUJCZDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-11-6-19-16(20-7-11)22-5-3-15-13(9-22)14(21-24-15)10-23-12-2-1-4-18-8-12/h1-2,4,6-8H,3,5,9-10H2.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 327.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).