ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate

C27H24N2O5 — CID 11294021

IUPACethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)C(=O)C12c1ccccc1
InChIInChI=1S/C27H24N2O5/c1-3-33-25(30)23-24(19-10-6-4-7-11-19)34-29-18-28(21-14-16-22(32-2)17-15-21)26(31)27(23,29)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3
InChIKeyQYLXQMMJXXRNSJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.12
Rot. Bonds6

About ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate

ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate (PubChem CID 11294021) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate
PubChem CID11294021
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Nameethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)C(=O)C12c1ccccc1
InChIInChI=1S/C27H24N2O5/c1-3-33-25(30)23-24(19-10-6-4-7-11-19)34-29-18-28(21-14-16-22(32-2)17-15-21)26(31)27(23,29)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3
InChIKeyQYLXQMMJXXRNSJ-UHFFFAOYSA-N
XLogP4.12
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate (CID 11294021) is ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)ON2CN(c3ccc(OC)cc3)C(=O)C12c1ccccc1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate?
The InChIKey is QYLXQMMJXXRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-3-33-25(30)23-24(19-10-6-4-7-11-19)34-29-18-28(21-14-16-22(32-2)17-15-21)26(31)27(23,29)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate?
ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-4-oxo-2,3a-diphenyl-6H-imidazo[1,5-b][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 11294021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).