2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide

C13H10N4O2S — CID 683049

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ncccn1
InChIInChI=1S/C13H10N4O2S/c18-11(17-12-14-6-3-7-15-12)8-20-13-16-9-4-1-2-5-10(9)19-13/h1-7H,8H2,(H,14,15,17,18)
InChIKeyHCQIGOKEVXRYST-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.35
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide (PubChem CID 683049) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
PubChem CID683049
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ncccn1
InChIInChI=1S/C13H10N4O2S/c18-11(17-12-14-6-3-7-15-12)8-20-13-16-9-4-1-2-5-10(9)19-13/h1-7H,8H2,(H,14,15,17,18)
InChIKeyHCQIGOKEVXRYST-UHFFFAOYSA-N
XLogP2.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide (CID 683049) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide is O=C(CSc1nc2ccccc2o1)Nc1ncccn1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is HCQIGOKEVXRYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-11(17-12-14-6-3-7-15-12)8-20-13-16-9-4-1-2-5-10(9)19-13/h1-7H,8H2,(H,14,15,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 286.32 g/mol, XLogP of 2.35, 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-pyrimidin-2-ylacetamide is sourced from PubChem (CID 683049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).