(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C17H13ClN4O4 — CID 40767255

IUPAC(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O
InChIInChI=1S/C17H13ClN4O4/c1-17(12-3-2-8-25-12)15(23)22(16(24)20-17)9-13-19-14(21-26-13)10-4-6-11(18)7-5-10/h2-8H,9H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyVSRJCONBPWGRRN-QGZVFWFLSA-N
MW372.77 g/mol
LogP2.95
Rot. Bonds4

About (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 40767255) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID40767255
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC Name(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O
InChIInChI=1S/C17H13ClN4O4/c1-17(12-3-2-8-25-12)15(23)22(16(24)20-17)9-13-19-14(21-26-13)10-4-6-11(18)7-5-10/h2-8H,9H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyVSRJCONBPWGRRN-QGZVFWFLSA-N
XLogP2.95
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484776
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40895481
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40812144
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
(5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 92786731

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 40767255) is (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccco2)NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O.
What is the InChIKey of (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VSRJCONBPWGRRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c1-17(12-3-2-8-25-12)15(23)22(16(24)20-17)9-13-19-14(21-26-13)10-4-6-11(18)7-5-10/h2-8H,9H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 372.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40767255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).