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

C19H16FN3O3 — CID 122186361

IUPAC(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(COc3cccnc3)oc2C1
InChIInChI=1S/C19H16FN3O3/c20-14-5-3-13(4-6-14)19(24)23-9-7-16-17(11-23)26-18(22-16)12-25-15-2-1-8-21-10-15/h1-6,8,10H,7,9,11-12H2
InChIKeyWEBJVGXMWQLZCR-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.99
Rot. Bonds4

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

(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 122186361) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID122186361
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(COc3cccnc3)oc2C1
InChIInChI=1S/C19H16FN3O3/c20-14-5-3-13(4-6-14)19(24)23-9-7-16-17(11-23)26-18(22-16)12-25-15-2-1-8-21-10-15/h1-6,8,10H,7,9,11-12H2
InChIKeyWEBJVGXMWQLZCR-UHFFFAOYSA-N
XLogP2.99
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-bromophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 66613462
(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66612485
(4-fluorophenyl)-[2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepin-5-yl]methanone
CID 56941775
2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile
CID 66613454
[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone
CID 66609402
[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 66613450
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydro-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 122186366
5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one
CID 66612504
(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114
(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66609131
(4-fluorophenyl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462066
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 122186361) is (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1ccc(F)cc1)N1CCc2nc(COc3cccnc3)oc2C1.
What is the InChIKey of (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is WEBJVGXMWQLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-14-5-3-13(4-6-14)19(24)23-9-7-16-17(11-23)26-18(22-16)12-25-15-2-1-8-21-10-15/h1-6,8,10H,7,9,11-12H2.
What are the key properties of (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 353.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 122186361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).