1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one

C18H16F2N4O2 — CID 56754479

IUPAC1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1ccnc1
InChIInChI=1S/C18H16F2N4O2/c1-11(24-7-5-21-10-24)18(25)23-6-4-16-13(9-23)17(22-26-16)12-2-3-14(19)15(20)8-12/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyZMZAIZVZOIBOEM-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 56754479) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID56754479
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1ccnc1
InChIInChI=1S/C18H16F2N4O2/c1-11(24-7-5-21-10-24)18(25)23-6-4-16-13(9-23)17(22-26-16)12-2-3-14(19)15(20)8-12/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyZMZAIZVZOIBOEM-UHFFFAOYSA-N
XLogP2.96
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one (CID 56754479) is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one is CC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1ccnc1.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is ZMZAIZVZOIBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-11(24-7-5-21-10-24)18(25)23-6-4-16-13(9-23)17(22-26-16)12-2-3-14(19)15(20)8-12/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one?
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 358.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 56754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).