1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone

C15H16FN3O2 — CID 119411851

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESN[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-10(2-4-11)15-18-13(9-21-15)7-14(20)19-6-5-12(17)8-19/h1-4,9,12H,5-8,17H2/t12-/m1/s1
InChIKeyIRPANJGASQJRIO-GFCCVEGCSA-N
MW289.31 g/mol
LogP1.58
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone

1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 119411851) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
PubChem CID119411851
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESN[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-10(2-4-11)15-18-13(9-21-15)7-14(20)19-6-5-12(17)8-19/h1-4,9,12H,5-8,17H2/t12-/m1/s1
InChIKeyIRPANJGASQJRIO-GFCCVEGCSA-N
XLogP1.58
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 75392995
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995020
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124697594
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129379310
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119546423

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone (CID 119411851) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone is N[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is IRPANJGASQJRIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-3-1-10(2-4-11)15-18-13(9-21-15)7-14(20)19-6-5-12(17)8-19/h1-4,9,12H,5-8,17H2/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 289.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 119411851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).