3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

C20H16F2N4O3 — CID 43075450

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C20H16F2N4O3/c1-20(13-7-8-14(21)15(22)10-13)18(27)26(19(28)24-20)11-17-23-16(25-29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,24,28)
InChIKeyFDAPTYPYPWOAAH-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.91
Rot. Bonds5

About 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 43075450) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID43075450
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C20H16F2N4O3/c1-20(13-7-8-14(21)15(22)10-13)18(27)26(19(28)24-20)11-17-23-16(25-29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,24,28)
InChIKeyFDAPTYPYPWOAAH-UHFFFAOYSA-N
XLogP2.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 71913747
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97090177
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94870336
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 56812667
5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55528869
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 51075953
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 43075450) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FDAPTYPYPWOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-20(13-7-8-14(21)15(22)10-13)18(27)26(19(28)24-20)11-17-23-16(25-29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,24,28).
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 398.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).