1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone

C18H22FN3O2 — CID 120818074

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCC1N
InChIInChI=1S/C18H22FN3O2/c1-18(2)11-22(8-7-15(18)20)16(23)9-14-10-24-17(21-14)12-3-5-13(19)6-4-12/h3-6,10,15H,7-9,11,20H2,1-2H3
InChIKeyRKNNTMAJFYPFCY-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.61
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 120818074) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
PubChem CID120818074
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCC1N
InChIInChI=1S/C18H22FN3O2/c1-18(2)11-22(8-7-15(18)20)16(23)9-14-10-24-17(21-14)12-3-5-13(19)6-4-12/h3-6,10,15H,7-9,11,20H2,1-2H3
InChIKeyRKNNTMAJFYPFCY-UHFFFAOYSA-N
XLogP2.61
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 120819308
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120815553
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120817102
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 75392995
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120815701
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
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-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone (CID 120818074) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone is CC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is RKNNTMAJFYPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2)11-22(8-7-15(18)20)16(23)9-14-10-24-17(21-14)12-3-5-13(19)6-4-12/h3-6,10,15H,7-9,11,20H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 331.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 120818074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).