(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C19H22N4O3 — CID 40919348

IUPAC(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(-c2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-11(2)12-4-6-13(7-5-12)16-20-15(26-22-16)10-23-17(24)19(3,14-8-9-14)21-18(23)25/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t19-/m1/s1
InChIKeyFXEKQVFXLUNVOC-LJQANCHMSA-N
MW354.41 g/mol
LogP3.08
Rot. Bonds5

About (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 40919348) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID40919348
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(-c2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-11(2)12-4-6-13(7-5-12)16-20-15(26-22-16)10-23-17(24)19(3,14-8-9-14)21-18(23)25/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t19-/m1/s1
InChIKeyFXEKQVFXLUNVOC-LJQANCHMSA-N
XLogP3.08
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.08
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

5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094462
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40812144
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767255
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 124631510
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541317
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
5-methyl-5-(4-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 17445557
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 40919348) is (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is CC(C)c1ccc(-c2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)cc1.
What is the InChIKey of (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is FXEKQVFXLUNVOC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)12-4-6-13(7-5-12)16-20-15(26-22-16)10-23-17(24)19(3,14-8-9-14)21-18(23)25/h4-7,11,14H,8-10H2,1-3H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-5-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40919348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).