4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole

C20H17N3O4 — CID 56755410

IUPAC4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole
SMILESCOc1cc(-c2nc(Cn3cnc4ccccc43)c(C)o2)cc2c1OCO2
InChIInChI=1S/C20H17N3O4/c1-12-15(9-23-10-21-14-5-3-4-6-16(14)23)22-20(27-12)13-7-17(24-2)19-18(8-13)25-11-26-19/h3-8,10H,9,11H2,1-2H3
InChIKeySREFLHAADKRHRG-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.79
Rot. Bonds4

About 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole

4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole (PubChem CID 56755410) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole
PubChem CID56755410
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole
SMILESCOc1cc(-c2nc(Cn3cnc4ccccc43)c(C)o2)cc2c1OCO2
InChIInChI=1S/C20H17N3O4/c1-12-15(9-23-10-21-14-5-3-4-6-16(14)23)22-20(27-12)13-7-17(24-2)19-18(8-13)25-11-26-19/h3-8,10H,9,11H2,1-2H3
InChIKeySREFLHAADKRHRG-UHFFFAOYSA-N
XLogP3.79
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole (CID 56755410) is 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole is COc1cc(-c2nc(Cn3cnc4ccccc43)c(C)o2)cc2c1OCO2.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole?
The InChIKey is SREFLHAADKRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-15(9-23-10-21-14-5-3-4-6-16(14)23)22-20(27-12)13-7-17(24-2)19-18(8-13)25-11-26-19/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole?
4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole has a molecular weight of 363.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 56755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).