5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione

C25H24N4O4 — CID 91289803

IUPAC5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(C3(C)C=C(C4(C)NC(=O)NC4=O)NO3)cc2)c2ccccc2n1
InChIInChI=1S/C25H24N4O4/c1-15-12-16(19-6-4-5-7-20(19)26-15)14-32-18-10-8-17(9-11-18)24(2)13-21(29-33-24)25(3)22(30)27-23(31)28-25/h4-13,29H,14H2,1-3H3,(H2,27,28,30,31)
InChIKeyBVUUKZRINPJPAS-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.35
Rot. Bonds5

About 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione

5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione (PubChem CID 91289803) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione
PubChem CID91289803
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(C3(C)C=C(C4(C)NC(=O)NC4=O)NO3)cc2)c2ccccc2n1
InChIInChI=1S/C25H24N4O4/c1-15-12-16(19-6-4-5-7-20(19)26-15)14-32-18-10-8-17(9-11-18)24(2)13-21(29-33-24)25(3)22(30)27-23(31)28-25/h4-13,29H,14H2,1-3H3,(H2,27,28,30,31)
InChIKeyBVUUKZRINPJPAS-UHFFFAOYSA-N
XLogP3.35
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione (CID 91289803) is 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione is Cc1cc(COc2ccc(C3(C)C=C(C4(C)NC(=O)NC4=O)NO3)cc2)c2ccccc2n1.
What is the InChIKey of 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione?
The InChIKey is BVUUKZRINPJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-15-12-16(19-6-4-5-7-20(19)26-15)14-32-18-10-8-17(9-11-18)24(2)13-21(29-33-24)25(3)22(30)27-23(31)28-25/h4-13,29H,14H2,1-3H3,(H2,27,28,30,31).
What are the key properties of 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione?
5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione has a molecular weight of 444.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazol-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 91289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).