(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate

C19H12FN3O3 — CID 58067465

IUPAC(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate
SMILESO=C(Cc1cc(-c2nc3ncccc3o2)ccn1)Oc1ccc(F)cc1
InChIInChI=1S/C19H12FN3O3/c20-13-3-5-15(6-4-13)25-17(24)11-14-10-12(7-9-21-14)19-23-18-16(26-19)2-1-8-22-18/h1-10H,11H2
InChIKeyYGMMTLWDUALGNG-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.57
Rot. Bonds4

About (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate

(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate (PubChem CID 58067465) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate
PubChem CID58067465
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC Name(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate
SMILESO=C(Cc1cc(-c2nc3ncccc3o2)ccn1)Oc1ccc(F)cc1
InChIInChI=1S/C19H12FN3O3/c20-13-3-5-15(6-4-13)25-17(24)11-14-10-12(7-9-21-14)19-23-18-16(26-19)2-1-8-22-18/h1-10H,11H2
InChIKeyYGMMTLWDUALGNG-UHFFFAOYSA-N
XLogP3.57
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-[1,3]Oxazolo[4,5-b]pyridin-2-yldecan-1-one
CID 22486175
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate?
The IUPAC name of (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate (CID 58067465) is (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate.
What is the SMILES notation for (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate?
The canonical SMILES for (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate is O=C(Cc1cc(-c2nc3ncccc3o2)ccn1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate?
The InChIKey is YGMMTLWDUALGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-13-3-5-15(6-4-13)25-17(24)11-14-10-12(7-9-21-14)19-23-18-16(26-19)2-1-8-22-18/h1-10H,11H2.
What are the key properties of (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate?
(4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate has a molecular weight of 349.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate is sourced from PubChem (CID 58067465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).