2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile

C21H16FN3O3 — CID 66613454

IUPAC2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)ccc1F
InChIInChI=1S/C21H16FN3O3/c22-17-7-6-14(10-15(17)11-23)21(26)25-9-8-18-19(12-25)28-20(24-18)13-27-16-4-2-1-3-5-16/h1-7,10H,8-9,12-13H2
InChIKeyUTAZJKLXQGPAMG-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.46
Rot. Bonds4

About 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile

2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile (PubChem CID 66613454) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile
PubChem CID66613454
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)ccc1F
InChIInChI=1S/C21H16FN3O3/c22-17-7-6-14(10-15(17)11-23)21(26)25-9-8-18-19(12-25)28-20(24-18)13-27-16-4-2-1-3-5-16/h1-7,10H,8-9,12-13H2
InChIKeyUTAZJKLXQGPAMG-UHFFFAOYSA-N
XLogP3.46
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile (CID 66613454) is 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile is N#Cc1cc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile?
The InChIKey is UTAZJKLXQGPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-17-7-6-14(10-15(17)11-23)21(26)25-9-8-18-19(12-25)28-20(24-18)13-27-16-4-2-1-3-5-16/h1-7,10H,8-9,12-13H2.
What are the key properties of 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile?
2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile has a molecular weight of 377.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile is sourced from PubChem (CID 66613454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).