5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

C19H14ClN5O5 — CID 112787554

IUPAC5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O
InChIInChI=1S/C19H14ClN5O5/c1-19(12-4-6-13(20)7-5-12)17(26)24(18(27)21-19)10-15-22-23-16(30-15)11-2-8-14(9-3-11)25(28)29/h2-9H,10H2,1H3,(H,21,27)
InChIKeyKDVKDJTXFIKPEG-UHFFFAOYSA-N
MW427.80 g/mol
LogP3.27
Rot. Bonds5

About 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 112787554) has the molecular formula C19H14ClN5O5 and a molecular weight of 427.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID112787554
Molecular FormulaC19H14ClN5O5
Molecular Weight427.80 g/mol
Exact Mass427.07
IUPAC Name5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O
InChIInChI=1S/C19H14ClN5O5/c1-19(12-4-6-13(20)7-5-12)17(26)24(18(27)21-19)10-15-22-23-16(30-15)11-2-8-14(9-3-11)25(28)29/h2-9H,10H2,1H3,(H,21,27)
InChIKeyKDVKDJTXFIKPEG-UHFFFAOYSA-N
XLogP3.27
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112788610
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 55602325
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602
(5S)-3-[(2,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180278
3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 112788366
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 55306913
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 41144059
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46528612
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 112787554) is 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is KDVKDJTXFIKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O5/c1-19(12-4-6-13(20)7-5-12)17(26)24(18(27)21-19)10-15-22-23-16(30-15)11-2-8-14(9-3-11)25(28)29/h2-9H,10H2,1H3,(H,21,27).
What are the key properties of 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 427.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112787554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).