3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one

C20H24FN3O3 — CID 166305757

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(C2(O)CNC2)CC1
InChIInChI=1S/C20H24FN3O3/c21-16-4-2-1-3-15(16)17-11-23-18(27-17)5-6-19(25)24-9-7-14(8-10-24)20(26)12-22-13-20/h1-4,11,14,22,26H,5-10,12-13H2
InChIKeyYFTHRTCXKGYBBO-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.99
Rot. Bonds5

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 166305757) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID166305757
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(C2(O)CNC2)CC1
InChIInChI=1S/C20H24FN3O3/c21-16-4-2-1-3-15(16)17-11-23-18(27-17)5-6-19(25)24-9-7-14(8-10-24)20(26)12-22-13-20/h1-4,11,14,22,26H,5-10,12-13H2
InChIKeyYFTHRTCXKGYBBO-UHFFFAOYSA-N
XLogP1.99
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 24595519
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
CID 124701703
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18135516

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one (CID 166305757) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(C2(O)CNC2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YFTHRTCXKGYBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-16-4-2-1-3-15(16)17-11-23-18(27-17)5-6-19(25)24-9-7-14(8-10-24)20(26)12-22-13-20/h1-4,11,14,22,26H,5-10,12-13H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 373.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 166305757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).