2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide

C19H14N4O3 — CID 46528508

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H14N4O3/c24-17(12-23-15-8-4-5-9-16(15)26-19(23)25)22-14-10-20-18(21-11-14)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,24)
InChIKeySKWDLBYIUOGHTJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide (PubChem CID 46528508) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
PubChem CID46528508
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H14N4O3/c24-17(12-23-15-8-4-5-9-16(15)26-19(23)25)22-14-10-20-18(21-11-14)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,24)
InChIKeySKWDLBYIUOGHTJ-UHFFFAOYSA-N
XLogP2.69
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-tert-butyl-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 15991852
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78827961
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
N-(2-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 16582076
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide (CID 46528508) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide?
The InChIKey is SKWDLBYIUOGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-17(12-23-15-8-4-5-9-16(15)26-19(23)25)22-14-10-20-18(21-11-14)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,24).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide has a molecular weight of 346.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 46528508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).