3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one

C12H12N2O4S — CID 100921508

IUPAC3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1ON=C(c2cccs2)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C12H12N2O4S/c1-7-9(11(15)14-4-5-17-12(14)16)10(13-18-7)8-3-2-6-19-8/h2-3,6-7,9H,4-5H2,1H3/t7-,9-/m0/s1
InChIKeyQWXXWAJUHFTLRG-CBAPKCEASA-N
MW280.30 g/mol
LogP1.47
Rot. Bonds2

About 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one

3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 100921508) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
PubChem CID100921508
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1ON=C(c2cccs2)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C12H12N2O4S/c1-7-9(11(15)14-4-5-17-12(14)16)10(13-18-7)8-3-2-6-19-8/h2-3,6-7,9H,4-5H2,1H3/t7-,9-/m0/s1
InChIKeyQWXXWAJUHFTLRG-CBAPKCEASA-N
XLogP1.47
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
(5-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-thiophen-2-ylmethanone
CID 110872018
5-phenyl-3-thiophen-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 626864
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 122225985
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
6-hydroxy-3-thiophen-2-yl-1,4,2-oxathiazin-5-one
CID 90689330
3-(adamantane-1-carbonyl)-1,3-oxazolidin-2-one
CID 11470685
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (CID 100921508) is 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is C[C@@H]1ON=C(c2cccs2)[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is QWXXWAJUHFTLRG-CBAPKCEASA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-7-9(11(15)14-4-5-17-12(14)16)10(13-18-7)8-3-2-6-19-8/h2-3,6-7,9H,4-5H2,1H3/t7-,9-/m0/s1.
What are the key properties of 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 280.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100921508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).