3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C17H14F2N4O — CID 56742204

IUPAC3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)nn1
InChIInChI=1S/C17H14F2N4O/c1-10-2-5-16(21-20-10)23-7-6-15-12(9-23)17(22-24-15)11-3-4-13(18)14(19)8-11/h2-5,8H,6-7,9H2,1H3
InChIKeyOEJQSTJBOIZGOK-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.28
Rot. Bonds2

About 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56742204) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56742204
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)nn1
InChIInChI=1S/C17H14F2N4O/c1-10-2-5-16(21-20-10)23-7-6-15-12(9-23)17(22-24-15)11-3-4-13(18)14(19)8-11/h2-5,8H,6-7,9H2,1H3
InChIKeyOEJQSTJBOIZGOK-UHFFFAOYSA-N
XLogP3.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
CID 56752367
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
3-(3,4-difluorophenyl)-5-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 26320424
[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785
3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 30853187
3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226663
3-(3,4-difluorophenyl)-5-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226664
(2S)-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 95217799
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 56750334
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 42364581

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56742204) is 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1ccc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)nn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is OEJQSTJBOIZGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-2-5-16(21-20-10)23-7-6-15-12(9-23)17(22-24-15)11-3-4-13(18)14(19)8-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 328.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56742204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).