1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one

C20H19FN2O2 — CID 46107209

IUPAC1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nc2cc(-c3cccc(F)c3)ccc2o1
InChIInChI=1S/C20H19FN2O2/c1-2-19(24)23-10-4-7-17(23)20-22-16-12-14(8-9-18(16)25-20)13-5-3-6-15(21)11-13/h3,5-6,8-9,11-12,17H,2,4,7,10H2,1H3
InChIKeyHUQCNHUYRFELKR-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.71
Rot. Bonds3

About 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one

1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 46107209) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID46107209
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nc2cc(-c3cccc(F)c3)ccc2o1
InChIInChI=1S/C20H19FN2O2/c1-2-19(24)23-10-4-7-17(23)20-22-16-12-14(8-9-18(16)25-20)13-5-3-6-15(21)11-13/h3,5-6,8-9,11-12,17H,2,4,7,10H2,1H3
InChIKeyHUQCNHUYRFELKR-UHFFFAOYSA-N
XLogP4.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 46107225
(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015261
2-(4-fluorophenyl)-1-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 93015293
1-[2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 46107362
1-[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one
CID 93015587
cyclopropyl-[(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 93015557
3-methyl-1-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 42880427
1-[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 93015605
1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 93015637
1-[(2S)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 93015220
3-chloro-1-[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 93015604
[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 93015575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one (CID 46107209) is 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1nc2cc(-c3cccc(F)c3)ccc2o1.
What is the InChIKey of 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is HUQCNHUYRFELKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-2-19(24)23-10-4-7-17(23)20-22-16-12-14(8-9-18(16)25-20)13-5-3-6-15(21)11-13/h3,5-6,8-9,11-12,17H,2,4,7,10H2,1H3.
What are the key properties of 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 338.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 46107209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).