1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone

C20H18FN3O3 — CID 92575357

IUPAC1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C20H18FN3O3/c21-14-5-4-6-15(11-14)22-20-17-12-24(10-9-18(17)27-23-20)19(25)13-26-16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2,(H,22,23)
InChIKeyDCDRADGSQADJJO-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.52
Rot. Bonds5

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

1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 92575357) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID92575357
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C20H18FN3O3/c21-14-5-4-6-15(11-14)22-20-17-12-24(10-9-18(17)27-23-20)19(25)13-26-16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2,(H,22,23)
InChIKeyDCDRADGSQADJJO-UHFFFAOYSA-N
XLogP3.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone (CID 92575357) is 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1.
What is the InChIKey of 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is DCDRADGSQADJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-14-5-4-6-15(11-14)22-20-17-12-24(10-9-18(17)27-23-20)19(25)13-26-16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2,(H,22,23).
What are the key properties of 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone?
1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 367.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 92575357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).