2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

C22H16N6O4 — CID 122309788

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C22H16N6O4/c29-20(13-27-17-4-1-2-5-18(17)32-22(27)30)26-15-6-8-16(9-7-15)31-21-12-19(23-14-24-21)28-11-3-10-25-28/h1-12,14H,13H2,(H,26,29)
InChIKeyISGORZBGGVHKGD-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122309788) has the molecular formula C22H16N6O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122309788
Molecular FormulaC22H16N6O4
Molecular Weight428.41 g/mol
Exact Mass428.12
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C22H16N6O4/c29-20(13-27-17-4-1-2-5-18(17)32-22(27)30)26-15-6-8-16(9-7-15)31-21-12-19(23-14-24-21)28-11-3-10-25-28/h1-12,14H,13H2,(H,26,29)
InChIKeyISGORZBGGVHKGD-UHFFFAOYSA-N
XLogP3.00
TPSA117.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122309788) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is ISGORZBGGVHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O4/c29-20(13-27-17-4-1-2-5-18(17)32-22(27)30)26-15-6-8-16(9-7-15)31-21-12-19(23-14-24-21)28-11-3-10-25-28/h1-12,14H,13H2,(H,26,29).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 428.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122309788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).