3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H17F2N3O — CID 25282938

IUPAC3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1noc2c1CN(Cc1ccc3cccc(F)c3n1)CC2
InChIInChI=1S/C22H17F2N3O/c23-18-6-2-1-5-16(18)22-17-13-27(11-10-20(17)28-26-22)12-15-9-8-14-4-3-7-19(24)21(14)25-15/h1-9H,10-13H2
InChIKeyBLXMDOKWTXRVEG-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.73
Rot. Bonds3

About 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25282938) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25282938
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1noc2c1CN(Cc1ccc3cccc(F)c3n1)CC2
InChIInChI=1S/C22H17F2N3O/c23-18-6-2-1-5-16(18)22-17-13-27(11-10-20(17)28-26-22)12-15-9-8-14-4-3-7-19(24)21(14)25-15/h1-9H,10-13H2
InChIKeyBLXMDOKWTXRVEG-UHFFFAOYSA-N
XLogP4.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56748364
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56754916
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid
CID 56754283
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 56739987
5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 56866838
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
CID 56738395
1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one
CID 25365222
5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 29149761
(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 30722570
6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
CID 56745627
4,4,4-trifluoro-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 42591648

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25282938) is 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1ccccc1-c1noc2c1CN(Cc1ccc3cccc(F)c3n1)CC2.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is BLXMDOKWTXRVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-18-6-2-1-5-16(18)22-17-13-27(11-10-20(17)28-26-22)12-15-9-8-14-4-3-7-19(24)21(14)25-15/h1-9H,10-13H2.
What are the key properties of 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 377.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[(8-fluoroquinolin-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25282938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).