2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone

C15H11NO3S — CID 56678613

IUPAC2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone
SMILESO=C(COc1ccccc1)n1c(=S)oc2ccccc21
InChIInChI=1S/C15H11NO3S/c17-14(10-18-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)19-15(16)20/h1-9H,10H2
InChIKeyTTXOIAKZPATHKE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.68
Rot. Bonds3

About 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone

2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone (PubChem CID 56678613) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone
PubChem CID56678613
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone
SMILESO=C(COc1ccccc1)n1c(=S)oc2ccccc21
InChIInChI=1S/C15H11NO3S/c17-14(10-18-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)19-15(16)20/h1-9H,10H2
InChIKeyTTXOIAKZPATHKE-UHFFFAOYSA-N
XLogP3.68
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
4-phenyl-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one
CID 56671908
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxyacetic acid;piperazine
CID 54610102
3-phenoxy-2-sulfanylidenepropanoic acid
CID 54414786
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
2-phenoxyacetic acid;phenyl acetate
CID 160680696

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone (CID 56678613) is 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone is O=C(COc1ccccc1)n1c(=S)oc2ccccc21.
What is the InChIKey of 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone?
The InChIKey is TTXOIAKZPATHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-14(10-18-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)19-15(16)20/h1-9H,10H2.
What are the key properties of 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone?
2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone has a molecular weight of 285.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 56678613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).