2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole

C21H13N5O — CID 122447476

IUPAC2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5ccc6[nH]ncc6c5)cc4o3)nc2c1
InChIInChI=1S/C21H13N5O/c1-2-4-17-16(3-1)23-20(24-17)21-25-18-8-6-13(10-19(18)27-21)12-5-7-15-14(9-12)11-22-26-15/h1-11H,(H,22,26)(H,23,24)
InChIKeyOKJKKUOQVPKKIE-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.91
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole (PubChem CID 122447476) has the molecular formula C21H13N5O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole
PubChem CID122447476
Molecular FormulaC21H13N5O
Molecular Weight351.37 g/mol
Exact Mass351.11
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5ccc6[nH]ncc6c5)cc4o3)nc2c1
InChIInChI=1S/C21H13N5O/c1-2-4-17-16(3-1)23-20(24-17)21-25-18-8-6-13(10-19(18)27-21)12-5-7-15-14(9-12)11-22-26-15/h1-11H,(H,22,26)(H,23,24)
InChIKeyOKJKKUOQVPKKIE-UHFFFAOYSA-N
XLogP4.91
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10022387, Example 12
CID 122447522
1-[3-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044903
N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(1H-indazol-5-yl)-4-methoxybenzamide
CID 44406363
3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72725092
US9586949, Example 69
CID 122447487
US10022387, Example 10
CID 122447488
US10022387, Example 51
CID 122447498
US10022387, Example 16
CID 122447530
US10022387, Example 56
CID 122447576
US10022387, Example 70
CID 122447578
US10022387, Example 33
CID 136215267
US10022387, Example 69
CID 136215274

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole (CID 122447476) is 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole is c1ccc2[nH]c(-c3nc4ccc(-c5ccc6[nH]ncc6c5)cc4o3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole?
The InChIKey is OKJKKUOQVPKKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O/c1-2-4-17-16(3-1)23-20(24-17)21-25-18-8-6-13(10-19(18)27-21)12-5-7-15-14(9-12)11-22-26-15/h1-11H,(H,22,26)(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole has a molecular weight of 351.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(1H-indazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).