2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide

C16H16N4O2 — CID 162626547

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2noc3ccccc23)nc(C)c1C
InChIInChI=1S/C16H16N4O2/c1-9-10(2)17-16(18-11(9)3)19-15(21)8-13-12-6-4-5-7-14(12)22-20-13/h4-7H,8H2,1-3H3,(H,17,18,19,21)
InChIKeySIHREKOWSHULRZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide (PubChem CID 162626547) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
PubChem CID162626547
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2noc3ccccc23)nc(C)c1C
InChIInChI=1S/C16H16N4O2/c1-9-10(2)17-16(18-11(9)3)19-15(21)8-13-12-6-4-5-7-14(12)22-20-13/h4-7H,8H2,1-3H3,(H,17,18,19,21)
InChIKeySIHREKOWSHULRZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122047
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18203902
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide (CID 162626547) is 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide is Cc1nc(NC(=O)Cc2noc3ccccc23)nc(C)c1C.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide?
The InChIKey is SIHREKOWSHULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-10(2)17-16(18-11(9)3)19-15(21)8-13-12-6-4-5-7-14(12)22-20-13/h4-7H,8H2,1-3H3,(H,17,18,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 162626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).