3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one

C15H18N4O2S — CID 36578672

IUPAC3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(-c2nc(SCCN3CCOC3=O)n[nH]2)cc1
InChIInChI=1S/C15H18N4O2S/c1-2-11-3-5-12(6-4-11)13-16-14(18-17-13)22-10-8-19-7-9-21-15(19)20/h3-6H,2,7-10H2,1H3,(H,16,17,18)
InChIKeyDFWDSZFNPXJOQM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.58
Rot. Bonds6

About 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one

3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 36578672) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one
PubChem CID36578672
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(-c2nc(SCCN3CCOC3=O)n[nH]2)cc1
InChIInChI=1S/C15H18N4O2S/c1-2-11-3-5-12(6-4-11)13-16-14(18-17-13)22-10-8-19-7-9-21-15(19)20/h3-6H,2,7-10H2,1H3,(H,16,17,18)
InChIKeyDFWDSZFNPXJOQM-UHFFFAOYSA-N
XLogP2.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 8879594
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CID 27353183
5-(4-ethylphenyl)-3-(5-pyrazol-1-ylpentylsulfanyl)-1H-1,2,4-triazole
CID 56528107
4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 7538378
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8884982
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 35052035
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2668209
5-(4-ethylphenyl)-3-(2-methyl-3-methylsulfonylpropyl)sulfanyl-1H-1,2,4-triazole
CID 84586880
N-(4-ethylphenyl)-2-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 22579674
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 2668158
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone
CID 7914299
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 11907695

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one (CID 36578672) is 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one is CCc1ccc(-c2nc(SCCN3CCOC3=O)n[nH]2)cc1.
What is the InChIKey of 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DFWDSZFNPXJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-11-3-5-12(6-4-11)13-16-14(18-17-13)22-10-8-19-7-9-21-15(19)20/h3-6H,2,7-10H2,1H3,(H,16,17,18).
What are the key properties of 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 36578672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).