2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C15H14N4O2S — CID 2361559

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14N4O2S/c1-9-7-10(2)17-14(16-9)19-13(20)8-22-15-18-11-5-3-4-6-12(11)21-15/h3-7H,8H2,1-2H3,(H,16,17,19,20)
InChIKeyARZYORFXUISAPF-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.97
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 2361559) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID2361559
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14N4O2S/c1-9-7-10(2)17-14(16-9)19-13(20)8-22-15-18-11-5-3-4-6-12(11)21-15/h3-7H,8H2,1-2H3,(H,16,17,19,20)
InChIKeyARZYORFXUISAPF-UHFFFAOYSA-N
XLogP2.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210
N-Benzooxazol-2-yl-N'-propionyl-guanidine
CID 15997479
N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
CID 945758
2-(1,3-benzoxazol-2-ylamino)-6-(methoxymethyl)pyrimidin-4(1H)-one
CID 135426496
3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637
2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
CID 395772
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
CID 788271
N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
CID 788273
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135824703
7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 662941

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 2361559) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is ARZYORFXUISAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-7-10(2)17-14(16-9)19-13(20)8-22-15-18-11-5-3-4-6-12(11)21-15/h3-7H,8H2,1-2H3,(H,16,17,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 2361559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).