[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C21H19FN2O3 — CID 51856413

IUPAC[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccc2F)no1
InChIInChI=1S/C21H19FN2O3/c1-26-19-11-5-3-8-15(19)20-13-17(23-27-20)21(25)24-12-6-10-18(24)14-7-2-4-9-16(14)22/h2-5,7-9,11,13,18H,6,10,12H2,1H3/t18-/m1/s1
InChIKeyATNPCPZCRYSLBP-GOSISDBHSA-N
MW366.39 g/mol
LogP4.47
Rot. Bonds4

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

[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 51856413) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID51856413
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccc2F)no1
InChIInChI=1S/C21H19FN2O3/c1-26-19-11-5-3-8-15(19)20-13-17(23-27-20)21(25)24-12-6-10-18(24)14-7-2-4-9-16(14)22/h2-5,7-9,11,13,18H,6,10,12H2,1H3/t18-/m1/s1
InChIKeyATNPCPZCRYSLBP-GOSISDBHSA-N
XLogP4.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 92901994
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95302784
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039334
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51660353
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 51856413) is [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccc2F)no1.
What is the InChIKey of [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is ATNPCPZCRYSLBP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-19-11-5-3-8-15(19)20-13-17(23-27-20)21(25)24-12-6-10-18(24)14-7-2-4-9-16(14)22/h2-5,7-9,11,13,18H,6,10,12H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 366.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 51856413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).