(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C20H17FN4O3 — CID 41411865

IUPAC(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H17FN4O3/c21-15-9-7-14(8-10-15)18-23-17(28-24-18)12-25-19(26)16(22-20(25)27)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,22,27)/t16-/m0/s1
InChIKeyPLPZJZOEYHPLOM-INIZCTEOSA-N
MW380.38 g/mol
LogP2.93
Rot. Bonds6

About (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 41411865) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID41411865
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H17FN4O3/c21-15-9-7-14(8-10-15)18-23-17(28-24-18)12-25-19(26)16(22-20(25)27)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,22,27)/t16-/m0/s1
InChIKeyPLPZJZOEYHPLOM-INIZCTEOSA-N
XLogP2.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 41411865) is (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is PLPZJZOEYHPLOM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-9-7-14(8-10-15)18-23-17(28-24-18)12-25-19(26)16(22-20(25)27)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,22,27)/t16-/m0/s1.
What are the key properties of (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41411865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).