1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

C17H19FN2O2 — CID 92893660

IUPAC1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCc1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1
InChIInChI=1S/C17H19FN2O2/c1-2-13-11-16(22-19-13)15-8-5-9-20(15)17(21)10-12-6-3-4-7-14(12)18/h3-4,6-7,11,15H,2,5,8-10H2,1H3/t15-/m1/s1
InChIKeyCBHNWEJBMCSBON-OAHLLOKOSA-N
MW302.35 g/mol
LogP3.28
Rot. Bonds4

About 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 92893660) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID92893660
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCc1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1
InChIInChI=1S/C17H19FN2O2/c1-2-13-11-16(22-19-13)15-8-5-9-20(15)17(21)10-12-6-3-4-7-14(12)18/h3-4,6-7,11,15H,2,5,8-10H2,1H3/t15-/m1/s1
InChIKeyCBHNWEJBMCSBON-OAHLLOKOSA-N
XLogP3.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893784
2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809054
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 92731961
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
(2S)-2-(3-ethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95079971
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
N-(2-chlorophenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096422
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50945289
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 92893660) is 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is CCc1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1.
What is the InChIKey of 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is CBHNWEJBMCSBON-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-13-11-16(22-19-13)15-8-5-9-20(15)17(21)10-12-6-3-4-7-14(12)18/h3-4,6-7,11,15H,2,5,8-10H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 302.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 92893660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).