(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone

C9H11FN2O2 — CID 126769296

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1(F)CCN(C(=O)c2ccon2)C1
InChIInChI=1S/C9H11FN2O2/c1-9(10)3-4-12(6-9)8(13)7-2-5-14-11-7/h2,5H,3-4,6H2,1H3
InChIKeyUJFMJBBMKDESEY-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.25
Rot. Bonds1

About (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone

(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 126769296) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID126769296
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1(F)CCN(C(=O)c2ccon2)C1
InChIInChI=1S/C9H11FN2O2/c1-9(10)3-4-12(6-9)8(13)7-2-5-14-11-7/h2,5H,3-4,6H2,1H3
InChIKeyUJFMJBBMKDESEY-UHFFFAOYSA-N
XLogP1.25
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
CID 24945127
N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 71918343
N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 71968833
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217
3-(Piperidinocarbonyl)isoxazole
CID 61565011
N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 60243389
1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl(1,2-oxazol-3-yl)methanone
CID 71861401
(2-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
CID 71930519
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 72128596
[4-(2-Ethoxyethyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 132377234
(4-Methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 136520423

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone (CID 126769296) is (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone is CC1(F)CCN(C(=O)c2ccon2)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is UJFMJBBMKDESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-9(10)3-4-12(6-9)8(13)7-2-5-14-11-7/h2,5H,3-4,6H2,1H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 198.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 126769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).