1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone

C14H10N2O2S — CID 83119190

IUPAC1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H10N2O2S/c1-9(17)11-7-6-10(8-15-11)19-14-16-12-4-2-3-5-13(12)18-14/h2-8H,1H3
InChIKeyHFWOZJYEUAAKKX-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.58
Rot. Bonds3

About 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone

1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone (PubChem CID 83119190) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone
PubChem CID83119190
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H10N2O2S/c1-9(17)11-7-6-10(8-15-11)19-14-16-12-4-2-3-5-13(12)18-14/h2-8H,1H3
InChIKeyHFWOZJYEUAAKKX-UHFFFAOYSA-N
XLogP3.58
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939142
1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
CID 83119888
1-[5-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119793
1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119488
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
3-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114288987
S-(1,3-benzoxazol-2-yl) benzenecarbothioate
CID 794341
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
6-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methylsulfanyl-2-pyridinyl)hexanamide
CID 69278120
5-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63752652
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 24644607

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone (CID 83119190) is 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone is CC(=O)c1ccc(Sc2nc3ccccc3o2)cn1.
What is the InChIKey of 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone?
The InChIKey is HFWOZJYEUAAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-9(17)11-7-6-10(8-15-11)19-14-16-12-4-2-3-5-13(12)18-14/h2-8H,1H3.
What are the key properties of 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone?
1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone has a molecular weight of 270.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).