1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione

C37H34N4O5 — CID 67717753

IUPAC1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(Cc2coc(/C=C/c3ccccc3)n2)C(=O)C1CCCc1ccc(OCc2coc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C37H34N4O5/c1-40-33(36(42)41(37(40)43)23-30-24-45-34(38-30)21-17-27-9-4-2-5-10-27)14-8-13-29-15-19-32(20-16-29)44-25-31-26-46-35(39-31)22-18-28-11-6-3-7-12-28/h2-7,9-12,15-22,24,26,33H,8,13-14,23,25H2,1H3/b21-17+,22-18+
InChIKeyBGCKMMPDMVYXET-KSTNYAOJSA-N
MW614.70 g/mol
LogP7.37
Rot. Bonds13

About 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione

1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 67717753) has the molecular formula C37H34N4O5 and a molecular weight of 614.70 g/mol. Its IUPAC name is 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID67717753
Molecular FormulaC37H34N4O5
Molecular Weight614.70 g/mol
Exact Mass614.25
IUPAC Name1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(Cc2coc(/C=C/c3ccccc3)n2)C(=O)C1CCCc1ccc(OCc2coc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C37H34N4O5/c1-40-33(36(42)41(37(40)43)23-30-24-45-34(38-30)21-17-27-9-4-2-5-10-27)14-8-13-29-15-19-32(20-16-29)44-25-31-26-46-35(39-31)22-18-28-11-6-3-7-12-28/h2-7,9-12,15-22,24,26,33H,8,13-14,23,25H2,1H3/b21-17+,22-18+
InChIKeyBGCKMMPDMVYXET-KSTNYAOJSA-N
XLogP7.37
TPSA101.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione (CID 67717753) is 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione is CN1C(=O)N(Cc2coc(/C=C/c3ccccc3)n2)C(=O)C1CCCc1ccc(OCc2coc(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is BGCKMMPDMVYXET-KSTNYAOJSA-N. The full InChI is InChI=1S/C37H34N4O5/c1-40-33(36(42)41(37(40)43)23-30-24-45-34(38-30)21-17-27-9-4-2-5-10-27)14-8-13-29-15-19-32(20-16-29)44-25-31-26-46-35(39-31)22-18-28-11-6-3-7-12-28/h2-7,9-12,15-22,24,26,33H,8,13-14,23,25H2,1H3/b21-17+,22-18+.
What are the key properties of 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 614.70 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67717753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).