methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate

C19H12N4O4 — CID 137100209

IUPACmethyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc4oc(-c5ncc[nH]5)nc34)nc12
InChIInChI=1S/C19H12N4O4/c1-25-19(24)11-5-3-7-13-15(11)22-17(26-13)10-4-2-6-12-14(10)23-18(27-12)16-20-8-9-21-16/h2-9H,1H3,(H,20,21)
InChIKeyLQZGWXUTHQGYAH-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.81
Rot. Bonds3

About methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate

methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate (PubChem CID 137100209) has the molecular formula C19H12N4O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
PubChem CID137100209
Molecular FormulaC19H12N4O4
Molecular Weight360.33 g/mol
Exact Mass360.09
IUPAC Namemethyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc4oc(-c5ncc[nH]5)nc34)nc12
InChIInChI=1S/C19H12N4O4/c1-25-19(24)11-5-3-7-13-15(11)22-17(26-13)10-4-2-6-12-14(10)23-18(27-12)16-20-8-9-21-16/h2-9H,1H3,(H,20,21)
InChIKeyLQZGWXUTHQGYAH-UHFFFAOYSA-N
XLogP3.81
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate 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 methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate (CID 137100209) is methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is COC(=O)c1cccc2oc(-c3cccc4oc(-c5ncc[nH]5)nc34)nc12.
What is the InChIKey of methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The InChIKey is LQZGWXUTHQGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O4/c1-25-19(24)11-5-3-7-13-15(11)22-17(26-13)10-4-2-6-12-14(10)23-18(27-12)16-20-8-9-21-16/h2-9H,1H3,(H,20,21).
What are the key properties of methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate has a molecular weight of 360.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-imidazol-2-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 137100209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).