3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

C8H10N4O3S — CID 9378533

IUPAC3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
SMILESCn1cnnc1SCC(=O)N1CCOC1=O
InChIInChI=1S/C8H10N4O3S/c1-11-5-9-10-7(11)16-4-6(13)12-2-3-15-8(12)14/h5H,2-4H2,1H3
InChIKeyMTRIJDOMFMUOQZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.11
Rot. Bonds3

About 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 9378533) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
PubChem CID9378533
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
SMILESCn1cnnc1SCC(=O)N1CCOC1=O
InChIInChI=1S/C8H10N4O3S/c1-11-5-9-10-7(11)16-4-6(13)12-2-3-15-8(12)14/h5H,2-4H2,1H3
InChIKeyMTRIJDOMFMUOQZ-UHFFFAOYSA-N
XLogP-0.11
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2962917
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 66150041
3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
CID 8881349
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropanethial
CID 54472324
3-[2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 63313431
3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 8879477
3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 8849001
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 2385589
1-(2-ethylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 78763785
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 133132637
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
CID 63581531
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
CID 43352407

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (CID 9378533) is 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is Cn1cnnc1SCC(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is MTRIJDOMFMUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-11-5-9-10-7(11)16-4-6(13)12-2-3-15-8(12)14/h5H,2-4H2,1H3.
What are the key properties of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 242.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 9378533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).