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

C15H14N4O4S — CID 713070

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14N4O4S/c1-21-12-7-13(22-2)19-14(18-12)17-11(20)8-24-15-16-9-5-3-4-6-10(9)23-15/h3-7H,8H2,1-2H3,(H,17,18,19,20)
InChIKeyOBAYJABSUJXLMA-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.37
Rot. Bonds6

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (PubChem CID 713070) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
PubChem CID713070
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1
InChIInChI=1S/C15H14N4O4S/c1-21-12-7-13(22-2)19-14(18-12)17-11(20)8-24-15-16-9-5-3-4-6-10(9)23-15/h3-7H,8H2,1-2H3,(H,17,18,19,20)
InChIKeyOBAYJABSUJXLMA-UHFFFAOYSA-N
XLogP2.37
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
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
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
N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine
CID 2063178
N-Benzooxazol-2-yl-N'-butyryl-guanidine
CID 16410387
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl-difluoro-methyl]-1,3-benzoxazole
CID 395771
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2361559
2-[1,3-Benzoxazol-2-yl(difluoro)methyl]sulfanylpyrimidin-4-amine
CID 56850243
methyl 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetate
CID 135401706

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (CID 713070) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The InChIKey is OBAYJABSUJXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-21-12-7-13(22-2)19-14(18-12)17-11(20)8-24-15-16-9-5-3-4-6-10(9)23-15/h3-7H,8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is sourced from PubChem (CID 713070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).