methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate

C26H24N2O4 — CID 11270306

IUPACmethyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)CC12c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-30-22-15-13-21(14-16-22)27-17-26(20-11-7-4-8-12-20)23(25(29)31-2)24(32-28(26)18-27)19-9-5-3-6-10-19/h3-16H,17-18H2,1-2H3
InChIKeyYUVFAIVCPUHTKC-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.20
Rot. Bonds5

About methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate

methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate (PubChem CID 11270306) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate
PubChem CID11270306
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Namemethyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)CC12c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-30-22-15-13-21(14-16-22)27-17-26(20-11-7-4-8-12-20)23(25(29)31-2)24(32-28(26)18-27)19-9-5-3-6-10-19/h3-16H,17-18H2,1-2H3
InChIKeyYUVFAIVCPUHTKC-UHFFFAOYSA-N
XLogP4.20
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate with MolForge

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Related Compounds

methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate
CID 132542458
methyl 4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 162535622
methyl 3a-(4-methoxyphenyl)-4-phenyl-2-(trifluoromethyl)-5,6-dihydro-4H-imidazo[1,5-b][1,2]oxazole-3-carboxylate
CID 141171655
methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate
CID 132542456
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
CID 134951212
(1'S,2R,3aR,5'S)-5-(4-methoxyphenyl)-6',6'-dimethyl-3a-phenylspiro[4,6-dihydro-3H-imidazo[1,5-b][1,2]oxazole-2,2'-bicyclo[3.1.1]heptane]
CID 129438349
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate (CID 11270306) is methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate is COC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)CC12c1ccccc1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate?
The InChIKey is YUVFAIVCPUHTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-22-15-13-21(14-16-22)27-17-26(20-11-7-4-8-12-20)23(25(29)31-2)24(32-28(26)18-27)19-9-5-3-6-10-19/h3-16H,17-18H2,1-2H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate?
methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 11270306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).