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

C15H16N4O3 — CID 8891877

IUPAC(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3nnc(C)o3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C15H16N4O3/c1-9-4-6-12(7-5-9)19-10(2)14(20)18(15(19)21)8-13-17-16-11(3)22-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyBIUCOEJIMLYJBE-JTQLQIEISA-N
MW300.32 g/mol
LogP2.04
Rot. Bonds3

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

(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 8891877) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID8891877
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3nnc(C)o3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C15H16N4O3/c1-9-4-6-12(7-5-9)19-10(2)14(20)18(15(19)21)8-13-17-16-11(3)22-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyBIUCOEJIMLYJBE-JTQLQIEISA-N
XLogP2.04
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
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)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 8891877) is (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3nnc(C)o3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BIUCOEJIMLYJBE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-4-6-12(7-5-9)19-10(2)14(20)18(15(19)21)8-13-17-16-11(3)22-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 8891877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).