3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one

C15H13NO4S — CID 115945174

IUPAC3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(O)c2ccccc12)N1CCOC1=O
InChIInChI=1S/C15H13NO4S/c17-12-5-6-13(11-4-2-1-3-10(11)12)21-9-14(18)16-7-8-20-15(16)19/h1-6,17H,7-9H2
InChIKeyKKOHSXCSZQQAMK-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.62
Rot. Bonds3

About 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one

3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one (PubChem CID 115945174) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
PubChem CID115945174
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(O)c2ccccc12)N1CCOC1=O
InChIInChI=1S/C15H13NO4S/c17-12-5-6-13(11-4-2-1-3-10(11)12)21-9-14(18)16-7-8-20-15(16)19/h1-6,17H,7-9H2
InChIKeyKKOHSXCSZQQAMK-UHFFFAOYSA-N
XLogP2.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one
CID 115945293
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
CID 43352407
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8883016
4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
CID 112596094
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 8804709
3-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8840904
3-[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8742329
3-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 8881081
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
CID 79554540
3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
CID 8881349

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one (CID 115945174) is 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one is O=C(CSc1ccc(O)c2ccccc12)N1CCOC1=O.
What is the InChIKey of 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The InChIKey is KKOHSXCSZQQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-12-5-6-13(11-4-2-1-3-10(11)12)21-9-14(18)16-7-8-20-15(16)19/h1-6,17H,7-9H2.
What are the key properties of 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one has a molecular weight of 303.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115945174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).