5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

C17H11N5O2 — CID 53141035

IUPAC5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc2o1
InChIInChI=1S/C17H11N5O2/c1-9-20-14-6-10(3-5-15(14)23-9)16-21-17(24-22-16)11-2-4-12-13(7-11)19-8-18-12/h2-8H,1H3,(H,18,19)
InChIKeyWWRQQAMWGHUNMG-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.73
Rot. Bonds2

About 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (PubChem CID 53141035) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
PubChem CID53141035
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc2o1
InChIInChI=1S/C17H11N5O2/c1-9-20-14-6-10(3-5-15(14)23-9)16-21-17(24-22-16)11-2-4-12-13(7-11)19-8-18-12/h2-8H,1H3,(H,18,19)
InChIKeyWWRQQAMWGHUNMG-UHFFFAOYSA-N
XLogP3.73
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (CID 53141035) is 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc2o1.
What is the InChIKey of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is WWRQQAMWGHUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c1-9-20-14-6-10(3-5-15(14)23-9)16-21-17(24-22-16)11-2-4-12-13(7-11)19-8-18-12/h2-8H,1H3,(H,18,19).
What are the key properties of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 317.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 53141035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).