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

C21H28FN3O — CID 56740545

IUPAC3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC1(C)CC(N2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)N1
InChIInChI=1S/C21H28FN3O/c1-20(2)11-16(12-21(3,4)24-20)25-9-8-18-17(13-25)19(23-26-18)14-6-5-7-15(22)10-14/h5-7,10,16,24H,8-9,11-13H2,1-4H3
InChIKeyXNDGXVBRHVGNHZ-UHFFFAOYSA-N
MW357.47 g/mol
LogP4.15
Rot. Bonds2

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

3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56740545) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56740545
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC1(C)CC(N2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)N1
InChIInChI=1S/C21H28FN3O/c1-20(2)11-16(12-21(3,4)24-20)25-9-8-18-17(13-25)19(23-26-18)14-6-5-7-15(22)10-14/h5-7,10,16,24H,8-9,11-13H2,1-4H3
InChIKeyXNDGXVBRHVGNHZ-UHFFFAOYSA-N
XLogP4.15
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 92770480
5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56757738
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-1,3-oxazolidin-2-one
CID 56756683
2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 46972679
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
5-(1,3-benzodioxol-4-ylmethyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 29022737
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
CID 56744214
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 46970594
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 56745598
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56740545) is 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC1(C)CC(N2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)N1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is XNDGXVBRHVGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-20(2)11-16(12-21(3,4)24-20)25-9-8-18-17(13-25)19(23-26-18)14-6-5-7-15(22)10-14/h5-7,10,16,24H,8-9,11-13H2,1-4H3.
What are the key properties of 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 357.47 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).