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

C22H13N5O2 — CID 53141198

IUPAC5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4noc(-c5ccc6nc[nH]c6c5)n4)ccc3o2)cc1
InChIInChI=1S/C22H13N5O2/c1-2-4-13(5-3-1)21-25-18-10-14(7-9-19(18)28-21)20-26-22(29-27-20)15-6-8-16-17(11-15)24-12-23-16/h1-12H,(H,23,24)
InChIKeyHIABNQXYZRPRIE-UHFFFAOYSA-N
MW379.38 g/mol
LogP5.09
Rot. Bonds3

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

5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 53141198) has the molecular formula C22H13N5O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
PubChem CID53141198
Molecular FormulaC22H13N5O2
Molecular Weight379.38 g/mol
Exact Mass379.11
IUPAC Name5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4noc(-c5ccc6nc[nH]c6c5)n4)ccc3o2)cc1
InChIInChI=1S/C22H13N5O2/c1-2-4-13(5-3-1)21-25-18-10-14(7-9-19(18)28-21)20-26-22(29-27-20)15-6-8-16-17(11-15)24-12-23-16/h1-12H,(H,23,24)
InChIKeyHIABNQXYZRPRIE-UHFFFAOYSA-N
XLogP5.09
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.09
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-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole (CID 53141198) is 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cc(-c4noc(-c5ccc6nc[nH]c6c5)n4)ccc3o2)cc1.
What is the InChIKey of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is HIABNQXYZRPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O2/c1-2-4-13(5-3-1)21-25-18-10-14(7-9-19(18)28-21)20-26-22(29-27-20)15-6-8-16-17(11-15)24-12-23-16/h1-12H,(H,23,24).
What are the key properties of 5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole?
5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 379.38 g/mol, XLogP of 5.09, 3 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-phenyl-1,3-benzoxazole is sourced from PubChem (CID 53141198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).