(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C8H10N2O4 — CID 130522251

IUPAC(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(O)CO2)no1
InChIInChI=1S/C8H10N2O4/c1-5-2-7(9-14-5)8(12)10-3-6(11)4-13-10/h2,6,11H,3-4H2,1H3
InChIKeyJQVJERSVIHMNEJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.27
Rot. Bonds1

About (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 130522251) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID130522251
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(O)CO2)no1
InChIInChI=1S/C8H10N2O4/c1-5-2-7(9-14-5)8(12)10-3-6(11)4-13-10/h2,6,11H,3-4H2,1H3
InChIKeyJQVJERSVIHMNEJ-UHFFFAOYSA-N
XLogP-0.27
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 130522384
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
[(2S,6R)-2,6-dimethylazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124575473
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone
CID 112736663

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 130522251) is (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC(O)CO2)no1.
What is the InChIKey of (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JQVJERSVIHMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-2-7(9-14-5)8(12)10-3-6(11)4-13-10/h2,6,11H,3-4H2,1H3.
What are the key properties of (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 198.18 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 130522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).