3-anilino-1,3-oxazolidin-2-one

C9H10N2O2 — CID 54128695

IUPAC3-anilino-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccccc1
InChIInChI=1S/C9H10N2O2/c12-9-11(6-7-13-9)10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNSTTXVDPULXMFG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.47
Rot. Bonds2

About 3-anilino-1,3-oxazolidin-2-one

3-anilino-1,3-oxazolidin-2-one (PubChem CID 54128695) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-anilino-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-1,3-oxazolidin-2-one
PubChem CID54128695
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-anilino-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccccc1
InChIInChI=1S/C9H10N2O2/c12-9-11(6-7-13-9)10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNSTTXVDPULXMFG-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-1,3-oxazolidin-2-one (CID 54128695) is 3-anilino-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-1,3-oxazolidin-2-one is O=C1OCCN1Nc1ccccc1.
What is the InChIKey of 3-anilino-1,3-oxazolidin-2-one?
The InChIKey is NSTTXVDPULXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9-11(6-7-13-9)10-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 3-anilino-1,3-oxazolidin-2-one?
3-anilino-1,3-oxazolidin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1,3-oxazolidin-2-one is sourced from PubChem (CID 54128695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).