2-(3-hydroxypropyl)-1,2-oxazolidin-5-one

C6H11NO3 — CID 105428747

IUPAC2-(3-hydroxypropyl)-1,2-oxazolidin-5-one
SMILESO=C1CCN(CCCO)O1
InChIInChI=1S/C6H11NO3/c8-5-1-3-7-4-2-6(9)10-7/h8H,1-5H2
InChIKeyHAPRHJBYLNQBGR-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.47
Rot. Bonds3

About 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one

2-(3-hydroxypropyl)-1,2-oxazolidin-5-one (PubChem CID 105428747) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,2-oxazolidin-5-one
PubChem CID105428747
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(3-hydroxypropyl)-1,2-oxazolidin-5-one
SMILESO=C1CCN(CCCO)O1
InChIInChI=1S/C6H11NO3/c8-5-1-3-7-4-2-6(9)10-7/h8H,1-5H2
InChIKeyHAPRHJBYLNQBGR-UHFFFAOYSA-N
XLogP-0.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one?
The IUPAC name of 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one (CID 105428747) is 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one is O=C1CCN(CCCO)O1.
What is the InChIKey of 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one?
The InChIKey is HAPRHJBYLNQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-1-3-7-4-2-6(9)10-7/h8H,1-5H2.
What are the key properties of 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one?
2-(3-hydroxypropyl)-1,2-oxazolidin-5-one has a molecular weight of 145.16 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,2-oxazolidin-5-one is sourced from PubChem (CID 105428747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).