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

C14H11N3O2S — CID 12706412

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1cccnc1
InChIInChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-20-14-17-11-5-1-2-6-12(11)19-14/h1-8H,9H2,(H,16,18)
InChIKeyGIAHSMKMWUABOC-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide (PubChem CID 12706412) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
PubChem CID12706412
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1cccnc1
InChIInChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-20-14-17-11-5-1-2-6-12(11)19-14/h1-8H,9H2,(H,16,18)
InChIKeyGIAHSMKMWUABOC-UHFFFAOYSA-N
XLogP2.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5418808
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 166195351
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 1219106
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 55632014
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(3-cyanopropoxy)phenyl]acetamide
CID 60532547
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 1118802
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7696701
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide (CID 12706412) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide is O=C(CSc1nc2ccccc2o1)Nc1cccnc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide?
The InChIKey is GIAHSMKMWUABOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-20-14-17-11-5-1-2-6-12(11)19-14/h1-8H,9H2,(H,16,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 12706412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).