2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone

C15H11NO2S — CID 684504

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone
SMILESO=C(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H11NO2S/c17-13(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyRYEGAFBEIASFNC-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.80
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone (PubChem CID 684504) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone
PubChem CID684504
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone
SMILESO=C(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H11NO2S/c17-13(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyRYEGAFBEIASFNC-UHFFFAOYSA-N
XLogP3.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone (CID 684504) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone is O=C(CSc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone?
The InChIKey is RYEGAFBEIASFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-13(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone has a molecular weight of 269.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanone is sourced from PubChem (CID 684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).