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

C15H15FN4O3 — CID 95303849

IUPAC(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C15H15FN4O3/c1-3-13-17-12(18-23-13)8-19-14(21)9(2)20(15(19)22)11-6-4-10(16)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyQWEHRAIXGZCIKB-VIFPVBQESA-N
MW318.31 g/mol
LogP2.13
Rot. Bonds4

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

(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 95303849) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID95303849
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C15H15FN4O3/c1-3-13-17-12(18-23-13)8-19-14(21)9(2)20(15(19)22)11-6-4-10(16)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyQWEHRAIXGZCIKB-VIFPVBQESA-N
XLogP2.13
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
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-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 95303849) is (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)no1.
What is the InChIKey of (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is QWEHRAIXGZCIKB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-3-13-17-12(18-23-13)8-19-14(21)9(2)20(15(19)22)11-6-4-10(16)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 318.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95303849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).