benzene;1,3-oxazolidin-2-one

C9H11NO2 — CID 18924337

IUPACbenzene;1,3-oxazolidin-2-one
SMILESO=C1NCCO1.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO2/c1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-6H;1-2H2,(H,4,5)
InChIKeyVHDULDQODIBRCF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.41
Rot. Bonds

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

benzene;1,3-oxazolidin-2-one (PubChem CID 18924337) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is benzene;1,3-oxazolidin-2-one.

Molecular Properties

Compound Namebenzene;1,3-oxazolidin-2-one
PubChem CID18924337
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namebenzene;1,3-oxazolidin-2-one
SMILESO=C1NCCO1.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO2/c1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-6H;1-2H2,(H,4,5)
InChIKeyVHDULDQODIBRCF-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-oxazolidin-2-one?
The IUPAC name of benzene;1,3-oxazolidin-2-one (CID 18924337) is benzene;1,3-oxazolidin-2-one.
What is the SMILES notation for benzene;1,3-oxazolidin-2-one?
The canonical SMILES for benzene;1,3-oxazolidin-2-one is O=C1NCCO1.c1ccccc1.
What is the InChIKey of benzene;1,3-oxazolidin-2-one?
The InChIKey is VHDULDQODIBRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H5NO2/c1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-6H;1-2H2,(H,4,5).
What are the key properties of benzene;1,3-oxazolidin-2-one?
benzene;1,3-oxazolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-oxazolidin-2-one is sourced from PubChem (CID 18924337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).