3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole

C23H18N4O — CID 11726411

IUPAC3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole
SMILESCCc1ccc(-c2onc3ccc(-c4cn[nH]c4-c4ccccn4)cc23)cc1
InChIInChI=1S/C23H18N4O/c1-2-15-6-8-16(9-7-15)23-18-13-17(10-11-20(18)27-28-23)19-14-25-26-22(19)21-5-3-4-12-24-21/h3-14H,2H2,1H3,(H,25,26)
InChIKeyJGJUOHQSJQGVKB-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.51
Rot. Bonds4

About 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole

3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole (PubChem CID 11726411) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole
PubChem CID11726411
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole
SMILESCCc1ccc(-c2onc3ccc(-c4cn[nH]c4-c4ccccn4)cc23)cc1
InChIInChI=1S/C23H18N4O/c1-2-15-6-8-16(9-7-15)23-18-13-17(10-11-20(18)27-28-23)19-14-25-26-22(19)21-5-3-4-12-24-21/h3-14H,2H2,1H3,(H,25,26)
InChIKeyJGJUOHQSJQGVKB-UHFFFAOYSA-N
XLogP5.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole?
The IUPAC name of 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole (CID 11726411) is 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole is CCc1ccc(-c2onc3ccc(-c4cn[nH]c4-c4ccccn4)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole?
The InChIKey is JGJUOHQSJQGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-15-6-8-16(9-7-15)23-18-13-17(10-11-20(18)27-28-23)19-14-25-26-22(19)21-5-3-4-12-24-21/h3-14H,2H2,1H3,(H,25,26).
What are the key properties of 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole?
3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole has a molecular weight of 366.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole is sourced from PubChem (CID 11726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).