4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one

C10H10N2O3 — CID 137242028

IUPAC4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2)OC(=O)NC1=NO
InChIInChI=1S/C10H10N2O3/c1-10(7-5-3-2-4-6-7)8(12-14)11-9(13)15-10/h2-6,14H,1H3,(H,11,12,13)
InChIKeyANKPCOIXRXALKL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.43
Rot. Bonds1

About 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one

4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 137242028) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID137242028
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2)OC(=O)NC1=NO
InChIInChI=1S/C10H10N2O3/c1-10(7-5-3-2-4-6-7)8(12-14)11-9(13)15-10/h2-6,14H,1H3,(H,11,12,13)
InChIKeyANKPCOIXRXALKL-UHFFFAOYSA-N
XLogP1.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 76969700
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 67774393
6-methyl-6-phenyloxane-2,3,5-trione
CID 12840341
5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 82098485
3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045974
5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 88529083
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
3-hydroxy-5-methyl-5-phenylfuran-2-one
CID 14661185
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 137242028) is 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one is CC1(c2ccccc2)OC(=O)NC1=NO.
What is the InChIKey of 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ANKPCOIXRXALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-10(7-5-3-2-4-6-7)8(12-14)11-9(13)15-10/h2-6,14H,1H3,(H,11,12,13).
What are the key properties of 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one?
4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 137242028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).