[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone

C18H14FN3O2 — CID 74221949

IUPAC[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2oc(-c3ccc(F)cn3)nc2C1
InChIInChI=1S/C18H14FN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFOPJMYBQTFPHTL-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.07
Rot. Bonds2

About [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone

[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone (PubChem CID 74221949) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
PubChem CID74221949
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2oc(-c3ccc(F)cn3)nc2C1
InChIInChI=1S/C18H14FN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFOPJMYBQTFPHTL-UHFFFAOYSA-N
XLogP3.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone (CID 74221949) is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1CCc2oc(-c3ccc(F)cn3)nc2C1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is FOPJMYBQTFPHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone?
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 323.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 74221949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).