3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide

C21H18FN5O4 — CID 55722531

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
SMILESCC1(c2cccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H18FN5O4/c1-21(19(29)25-20(30)26-21)13-3-2-4-15(11-13)23-16(28)9-10-17-24-18(27-31-17)12-5-7-14(22)8-6-12/h2-8,11H,9-10H2,1H3,(H,23,28)(H2,25,26,29,30)
InChIKeyXIXVLTUDPPEBCZ-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.50
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide (PubChem CID 55722531) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
PubChem CID55722531
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
SMILESCC1(c2cccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H18FN5O4/c1-21(19(29)25-20(30)26-21)13-3-2-4-15(11-13)23-16(28)9-10-17-24-18(27-31-17)12-5-7-14(22)8-6-12/h2-8,11H,9-10H2,1H3,(H,23,28)(H2,25,26,29,30)
InChIKeyXIXVLTUDPPEBCZ-UHFFFAOYSA-N
XLogP2.50
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide (CID 55722531) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide is CC1(c2cccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c2)NC(=O)NC1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The InChIKey is XIXVLTUDPPEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-21(19(29)25-20(30)26-21)13-3-2-4-15(11-13)23-16(28)9-10-17-24-18(27-31-17)12-5-7-14(22)8-6-12/h2-8,11H,9-10H2,1H3,(H,23,28)(H2,25,26,29,30).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide has a molecular weight of 423.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide is sourced from PubChem (CID 55722531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).