6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole

C22H16N4O2 — CID 122447534

IUPAC6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1
InChIInChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyIABCPJQICMCCAS-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.96
Rot. Bonds4

About 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole

6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole (PubChem CID 122447534) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
PubChem CID122447534
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1
InChIInChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyIABCPJQICMCCAS-UHFFFAOYSA-N
XLogP4.96
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole (CID 122447534) is 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The InChIKey is IABCPJQICMCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole has a molecular weight of 368.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).