(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione

C16H18N4O3 — CID 94825622

IUPAC(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)n1
InChIInChI=1S/C16H18N4O3/c1-4-12-17-13(23-19-12)9-20-14(21)16(3,18-15(20)22)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,18,22)/t16-/m0/s1
InChIKeyBWJHNVWUHIOEAG-INIZCTEOSA-N
MW314.35 g/mol
LogP1.91
Rot. Bonds4

About (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione (PubChem CID 94825622) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
PubChem CID94825622
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)n1
InChIInChI=1S/C16H18N4O3/c1-4-12-17-13(23-19-12)9-20-14(21)16(3,18-15(20)22)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,18,22)/t16-/m0/s1
InChIKeyBWJHNVWUHIOEAG-INIZCTEOSA-N
XLogP1.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.91
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-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 51108851
5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 51075953
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46528612
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
(5R)-5-(2-fluorophenyl)-5-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 94815184
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94870336
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40812144
3'-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 166228870
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione (CID 94825622) is (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione is CCc1noc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)n1.
What is the InChIKey of (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BWJHNVWUHIOEAG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-4-12-17-13(23-19-12)9-20-14(21)16(3,18-15(20)22)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 314.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94825622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).