ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C24H19N3O4 — CID 71663417

IUPACethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1nc(-c2ccccc2)oc1-c1cn(C)c2ccccc12
InChIInChI=1S/C24H19N3O4/c1-3-29-24(28)20-22(30-14-25-20)19-21(31-23(26-19)15-9-5-4-6-10-15)17-13-27(2)18-12-8-7-11-16(17)18/h4-14H,3H2,1-2H3
InChIKeyNVYNWGNBUZLFRL-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.33
Rot. Bonds5

About ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 71663417) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID71663417
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Nameethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1nc(-c2ccccc2)oc1-c1cn(C)c2ccccc12
InChIInChI=1S/C24H19N3O4/c1-3-29-24(28)20-22(30-14-25-20)19-21(31-23(26-19)15-9-5-4-6-10-15)17-13-27(2)18-12-8-7-11-16(17)18/h4-14H,3H2,1-2H3
InChIKeyNVYNWGNBUZLFRL-UHFFFAOYSA-N
XLogP5.33
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 71663417) is ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1nc(-c2ccccc2)oc1-c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is NVYNWGNBUZLFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-3-29-24(28)20-22(30-14-25-20)19-21(31-23(26-19)15-9-5-4-6-10-15)17-13-27(2)18-12-8-7-11-16(17)18/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(1-methylindol-3-yl)-2-phenyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71663417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).