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

C16H12N4O — CID 11231208

IUPAC6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncoc3c2)n1
InChIInChI=1S/C16H12N4O/c1-10-3-2-4-14(19-10)16-12(8-18-20-16)11-5-6-13-15(7-11)21-9-17-13/h2-9H,1H3,(H,18,20)
InChIKeyZBLCNRMRXQCLKZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.59
Rot. Bonds2

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

6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole (PubChem CID 11231208) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole
PubChem CID11231208
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncoc3c2)n1
InChIInChI=1S/C16H12N4O/c1-10-3-2-4-14(19-10)16-12(8-18-20-16)11-5-6-13-15(7-11)21-9-17-13/h2-9H,1H3,(H,18,20)
InChIKeyZBLCNRMRXQCLKZ-UHFFFAOYSA-N
XLogP3.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole (CID 11231208) is 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole is Cc1cccc(-c2[nH]ncc2-c2ccc3ncoc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole?
The InChIKey is ZBLCNRMRXQCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-3-2-4-14(19-10)16-12(8-18-20-16)11-5-6-13-15(7-11)21-9-17-13/h2-9H,1H3,(H,18,20).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole?
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole has a molecular weight of 276.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 11231208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).