1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

C20H18FN5O3 — CID 58247905

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)12-25-9-10-26(20(25)28)18-11-15(7-8-22-18)17(27)5-6-19-24-23-13-29-19/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyGWKQLSUSYZBUNI-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.86
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247905) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247905
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)12-25-9-10-26(20(25)28)18-11-15(7-8-22-18)17(27)5-6-19-24-23-13-29-19/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyGWKQLSUSYZBUNI-UHFFFAOYSA-N
XLogP2.86
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide
CID 44553787
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide
CID 44553953
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247759
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247773
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247799
1-[4-[3-(1,5-Dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58247834
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247878
[4-(1,3,4-Oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 9089575
3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 24503183
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-1-one
CID 39997019
3-[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110333846

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247905) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is O=C(CCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is GWKQLSUSYZBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)12-25-9-10-26(20(25)28)18-11-15(7-8-22-18)17(27)5-6-19-24-23-13-29-19/h1-4,7-8,11,13H,5-6,9-10,12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 395.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).