1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one

C17H20FN5O2 — CID 56821568

IUPAC1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(Cc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-5-3-12(4-6-13)16-21-20-15(25-16)11-22-8-1-2-14(10-22)23-9-7-19-17(23)24/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyLEXPGIKOKAZKLD-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821568) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID56821568
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(Cc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-5-3-12(4-6-13)16-21-20-15(25-16)11-22-8-1-2-14(10-22)23-9-7-19-17(23)24/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyLEXPGIKOKAZKLD-UHFFFAOYSA-N
XLogP1.87
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-phenethyl-hydantoin
CID 2998151
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2999998
1-[2-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 8300303
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
(R)-1-(2-fluorophenyl)-4-((S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487907
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134139607
2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 134143133
2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 134148049

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one (CID 56821568) is 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1C1CCCN(Cc2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is LEXPGIKOKAZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-5-3-12(4-6-13)16-21-20-15(25-16)11-22-8-1-2-14(10-22)23-9-7-19-17(23)24/h3-6,14H,1-2,7-11H2,(H,19,24).
What are the key properties of 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 345.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).