2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one

C12H11NO4S — CID 54911055

IUPAC2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CSc2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO4S/c1-8-6-11(15)13(17-8)12(16)7-18-10-4-2-9(14)3-5-10/h2-6,14H,7H2,1H3
InChIKeyVXAKHTALMGJIBB-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.89
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one

2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one (PubChem CID 54911055) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
PubChem CID54911055
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CSc2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO4S/c1-8-6-11(15)13(17-8)12(16)7-18-10-4-2-9(14)3-5-10/h2-6,14H,7H2,1H3
InChIKeyVXAKHTALMGJIBB-UHFFFAOYSA-N
XLogP1.89
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-amino-5-fluorophenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
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2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
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bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
CID 91553556
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-methylphenyl)sulfanylacetate
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4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
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N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one (CID 54911055) is 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(C(=O)CSc2ccc(O)cc2)o1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one?
The InChIKey is VXAKHTALMGJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-8-6-11(15)13(17-8)12(16)7-18-10-4-2-9(14)3-5-10/h2-6,14H,7H2,1H3.
What are the key properties of 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one?
2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one has a molecular weight of 265.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 54911055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).