[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate

C22H19N3O4 — CID 45497882

IUPAC[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
SMILESCC1Cc2cc(-c3cc(COC(=O)Cn4cnc5ccccc54)no3)ccc2O1
InChIInChI=1S/C22H19N3O4/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(24-29-21)12-27-22(26)11-25-13-23-18-4-2-3-5-19(18)25/h2-7,9-10,13-14H,8,11-12H2,1H3
InChIKeyOOGFDWSDVHPNOQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.76
Rot. Bonds5

About [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate

[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate (PubChem CID 45497882) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
PubChem CID45497882
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
SMILESCC1Cc2cc(-c3cc(COC(=O)Cn4cnc5ccccc54)no3)ccc2O1
InChIInChI=1S/C22H19N3O4/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(24-29-21)12-27-22(26)11-25-13-23-18-4-2-3-5-19(18)25/h2-7,9-10,13-14H,8,11-12H2,1H3
InChIKeyOOGFDWSDVHPNOQ-UHFFFAOYSA-N
XLogP3.76
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate (CID 45497882) is [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate is CC1Cc2cc(-c3cc(COC(=O)Cn4cnc5ccccc54)no3)ccc2O1.
What is the InChIKey of [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate?
The InChIKey is OOGFDWSDVHPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(24-29-21)12-27-22(26)11-25-13-23-18-4-2-3-5-19(18)25/h2-7,9-10,13-14H,8,11-12H2,1H3.
What are the key properties of [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate?
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate has a molecular weight of 389.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 45497882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).