(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C16H26N4O3 — CID 94026656

IUPAC(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@]1(C)NC(=O)N(Cc2noc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C16H26N4O3/c1-10(2)7-8-16(6)13(21)20(14(22)18-16)9-11-17-12(23-19-11)15(3,4)5/h10H,7-9H2,1-6H3,(H,18,22)/t16-/m0/s1
InChIKeyZITGQHSCLDJWMP-INIZCTEOSA-N
MW322.41 g/mol
LogP2.61
Rot. Bonds5

About (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 94026656) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID94026656
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@]1(C)NC(=O)N(Cc2noc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C16H26N4O3/c1-10(2)7-8-16(6)13(21)20(14(22)18-16)9-11-17-12(23-19-11)15(3,4)5/h10H,7-9H2,1-6H3,(H,18,22)/t16-/m0/s1
InChIKeyZITGQHSCLDJWMP-INIZCTEOSA-N
XLogP2.61
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 94026656) is (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CC[C@]1(C)NC(=O)N(Cc2noc(C(C)(C)C)n2)C1=O.
What is the InChIKey of (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is ZITGQHSCLDJWMP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)7-8-16(6)13(21)20(14(22)18-16)9-11-17-12(23-19-11)15(3,4)5/h10H,7-9H2,1-6H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94026656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).