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

Related Compounds

methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
US10022387, Example 12
CID 122447522
2-(3,4-dimethoxybenzyl)-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24790282
2-Benzyl-N-methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-1,3-benzoxazole-5-carboxamide
CID 24791476
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(4-methoxybenzyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 24819192
N-cyclohexyl-N-ethyl-2-imidazo[1,2-a]pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 58522797
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]imidazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60163537
US9586949, Example 69
CID 122447487
US10022387, Example 10
CID 122447488
US10022387, Example 16
CID 122447530
US10022387, Example 70
CID 122447578
US10022387, Example 33
CID 136215267

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).