5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole

C22H16N4O — CID 10473198

IUPAC5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3noc(-c4ccccc4)c3c2)n1
InChIInChI=1S/C22H16N4O/c1-14-6-5-9-20(24-14)21-18(13-23-25-21)16-10-11-19-17(12-16)22(27-26-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)
InChIKeyZZQJVHSWPITQLK-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.26
Rot. Bonds3

About 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole

5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole (PubChem CID 10473198) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole.

Molecular Properties

Compound Name5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole
PubChem CID10473198
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3noc(-c4ccccc4)c3c2)n1
InChIInChI=1S/C22H16N4O/c1-14-6-5-9-20(24-14)21-18(13-23-25-21)16-10-11-19-17(12-16)22(27-26-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)
InChIKeyZZQJVHSWPITQLK-UHFFFAOYSA-N
XLogP5.26
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole?
The IUPAC name of 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole (CID 10473198) is 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole.
What is the SMILES notation for 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole?
The canonical SMILES for 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole is Cc1cccc(-c2[nH]ncc2-c2ccc3noc(-c4ccccc4)c3c2)n1.
What is the InChIKey of 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole?
The InChIKey is ZZQJVHSWPITQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-14-6-5-9-20(24-14)21-18(13-23-25-21)16-10-11-19-17(12-16)22(27-26-19)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25).
What are the key properties of 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole?
5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole has a molecular weight of 352.40 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole is sourced from PubChem (CID 10473198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).