(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C17H14N4O4 — CID 94026653

IUPAC(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Cc2noc(-c3ccco3)n2)C1=O
InChIInChI=1S/C17H14N4O4/c1-17(11-6-3-2-4-7-11)15(22)21(16(23)19-17)10-13-18-14(25-20-13)12-8-5-9-24-12/h2-9H,10H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyDLGPSFBSZSIWIT-KRWDZBQOSA-N
MW338.32 g/mol
LogP2.30
Rot. Bonds4

About (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 94026653) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID94026653
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Cc2noc(-c3ccco3)n2)C1=O
InChIInChI=1S/C17H14N4O4/c1-17(11-6-3-2-4-7-11)15(22)21(16(23)19-17)10-13-18-14(25-20-13)12-8-5-9-24-12/h2-9H,10H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyDLGPSFBSZSIWIT-KRWDZBQOSA-N
XLogP2.30
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 43047103
(5R,6R)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94139700
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 78878886
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55578823
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94026664
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147726
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 94026653) is (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(Cc2noc(-c3ccco3)n2)C1=O.
What is the InChIKey of (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is DLGPSFBSZSIWIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-17(11-6-3-2-4-7-11)15(22)21(16(23)19-17)10-13-18-14(25-20-13)12-8-5-9-24-12/h2-9H,10H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 338.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 94026653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).