benzene;3-methyl-1,3-oxazolidin-2-one

C16H19NO2 — CID 169108917

IUPACbenzene;3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C4H7NO2/c2*1-2-4-6-5-3-1;1-5-2-3-7-4(5)6/h2*1-6H;2-3H2,1H3
InChIKeyZDAPBZMJWRPTOI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.44
Rot. Bonds

About benzene;3-methyl-1,3-oxazolidin-2-one

benzene;3-methyl-1,3-oxazolidin-2-one (PubChem CID 169108917) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is benzene;3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namebenzene;3-methyl-1,3-oxazolidin-2-one
PubChem CID169108917
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namebenzene;3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C4H7NO2/c2*1-2-4-6-5-3-1;1-5-2-3-7-4(5)6/h2*1-6H;2-3H2,1H3
InChIKeyZDAPBZMJWRPTOI-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Diphenylphosphoryl-1,3-oxazolidin-2-one
CID 878715
Se-phenyl 2-oxo-1,3-oxazolidine-3-carboselenoate
CID 11054726
3-[(E)-2-[dimethyl(phenyl)silyl]-2-trimethylsilylethenyl]-1,3-oxazolidin-2-one
CID 134848274
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[6-[Tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
3-[(Z)-2-triphenylsilyl-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 138978332
3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
CID 164666682
3-[(E)-1-deuterio-2-triphenylgermylethenyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 176427617
4,4-dimethyl-3-[(Z)-3,3,3-trifluoro-2-triphenylgermylprop-1-enyl]-1,3-oxazolidin-2-one
CID 168335812
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 58756451
3-Methyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 59351917

Frequently Asked Questions

What is the IUPAC name of benzene;3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of benzene;3-methyl-1,3-oxazolidin-2-one (CID 169108917) is benzene;3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for benzene;3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for benzene;3-methyl-1,3-oxazolidin-2-one is CN1CCOC1=O.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;3-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZDAPBZMJWRPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C4H7NO2/c2*1-2-4-6-5-3-1;1-5-2-3-7-4(5)6/h2*1-6H;2-3H2,1H3.
What are the key properties of benzene;3-methyl-1,3-oxazolidin-2-one?
benzene;3-methyl-1,3-oxazolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 169108917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).