2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole

C23H19N5O4S — CID 122447491

IUPAC2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole
SMILESO=S(=O)(c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1)N1CCOCC1
InChIInChI=1S/C23H19N5O4S/c29-33(30,28-7-9-31-10-8-28)17-11-16(13-24-14-17)15-5-6-20-21(12-15)32-23(27-20)22-25-18-3-1-2-4-19(18)26-22/h1-6,11-14H,7-10H2,(H,25,26)
InChIKeyHYASNZQXHBLUFB-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.45
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447491) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447491
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole
SMILESO=S(=O)(c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1)N1CCOCC1
InChIInChI=1S/C23H19N5O4S/c29-33(30,28-7-9-31-10-8-28)17-11-16(13-24-14-17)15-5-6-20-21(12-15)32-23(27-20)22-25-18-3-1-2-4-19(18)26-22/h1-6,11-14H,7-10H2,(H,25,26)
InChIKeyHYASNZQXHBLUFB-UHFFFAOYSA-N
XLogP3.45
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole (CID 122447491) is 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole is O=S(=O)(c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1)N1CCOCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is HYASNZQXHBLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c29-33(30,28-7-9-31-10-8-28)17-11-16(13-24-14-17)15-5-6-20-21(12-15)32-23(27-20)22-25-18-3-1-2-4-19(18)26-22/h1-6,11-14H,7-10H2,(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 461.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(5-morpholin-4-ylsulfonyl-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).