1,3-oxazolidin-2-one;dihydrochloride

C3H7Cl2NO2 — CID 19602638

IUPAC1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCO1
InChIInChI=1S/C3H5NO2.2ClH/c5-3-4-1-2-6-3;;/h1-2H2,(H,4,5);2*1H
InChIKeyFYUYRIIRBSIBCE-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.57
Rot. Bonds

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

1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 19602638) has the molecular formula C3H7Cl2NO2 and a molecular weight of 160.00 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;dihydrochloride
PubChem CID19602638
Molecular FormulaC3H7Cl2NO2
Molecular Weight160.00 g/mol
Exact Mass158.99
IUPAC Name1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCO1
InChIInChI=1S/C3H5NO2.2ClH/c5-3-4-1-2-6-3;;/h1-2H2,(H,4,5);2*1H
InChIKeyFYUYRIIRBSIBCE-UHFFFAOYSA-N
XLogP0.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;dihydrochloride?
The IUPAC name of 1,3-oxazolidin-2-one;dihydrochloride (CID 19602638) is 1,3-oxazolidin-2-one;dihydrochloride.
What is the SMILES notation for 1,3-oxazolidin-2-one;dihydrochloride?
The canonical SMILES for 1,3-oxazolidin-2-one;dihydrochloride is Cl.Cl.O=C1NCCO1.
What is the InChIKey of 1,3-oxazolidin-2-one;dihydrochloride?
The InChIKey is FYUYRIIRBSIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.2ClH/c5-3-4-1-2-6-3;;/h1-2H2,(H,4,5);2*1H.
What are the key properties of 1,3-oxazolidin-2-one;dihydrochloride?
1,3-oxazolidin-2-one;dihydrochloride has a molecular weight of 160.00 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;dihydrochloride is sourced from PubChem (CID 19602638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).