1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

C16H18FN3O2 — CID 110607807

IUPAC1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC2Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN3O2/c1-11-18-15(19-22-11)10-16(21)20-8-2-3-14(20)9-12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyAXZZFPUXJLWMBZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110607807) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID110607807
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC2Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN3O2/c1-11-18-15(19-22-11)10-16(21)20-8-2-3-14(20)9-12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyAXZZFPUXJLWMBZ-UHFFFAOYSA-N
XLogP2.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 138994959
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
3-[2-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 56797827
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
2-[2-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110601867
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 47069538
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 63395198
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 178032678

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110607807) is 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is Cc1nc(CC(=O)N2CCCC2Cc2ccc(F)cc2)no1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is AXZZFPUXJLWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-18-15(19-22-11)10-16(21)20-8-2-3-14(20)9-12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 303.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).