5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C20H19N3O5 — CID 71496095

IUPAC5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3[nH]cnc23)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-24-13-6-5-12(17-18(13)22-9-21-17)19-16(23-10-28-19)11-7-14(25-2)20(27-4)15(8-11)26-3/h5-10H,1-4H3,(H,21,22)
InChIKeySMJXFBKRXYLKRG-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.92
Rot. Bonds6

About 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 71496095) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID71496095
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc(OC)c3[nH]cnc23)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-24-13-6-5-12(17-18(13)22-9-21-17)19-16(23-10-28-19)11-7-14(25-2)20(27-4)15(8-11)26-3/h5-10H,1-4H3,(H,21,22)
InChIKeySMJXFBKRXYLKRG-UHFFFAOYSA-N
XLogP3.92
TPSA91.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 71496095) is 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2ncoc2-c2ccc(OC)c3[nH]cnc23)cc(OC)c1OC.
What is the InChIKey of 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is SMJXFBKRXYLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-24-13-6-5-12(17-18(13)22-9-21-17)19-16(23-10-28-19)11-7-14(25-2)20(27-4)15(8-11)26-3/h5-10H,1-4H3,(H,21,22).
What are the key properties of 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 381.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71496095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).