[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol

C5H11NO3 — CID 70467073

IUPAC[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)COCN1
InChIInChI=1S/C5H11NO3/c7-1-5(2-8)3-9-4-6-5/h6-8H,1-4H2
InChIKeyLFDCBZRDXPKKPM-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.71
Rot. Bonds2

About [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol

[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol (PubChem CID 70467073) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
PubChem CID70467073
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)COCN1
InChIInChI=1S/C5H11NO3/c7-1-5(2-8)3-9-4-6-5/h6-8H,1-4H2
InChIKeyLFDCBZRDXPKKPM-UHFFFAOYSA-N
XLogP-1.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol (CID 70467073) is [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol is OCC1(CO)COCN1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The InChIKey is LFDCBZRDXPKKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-1-5(2-8)3-9-4-6-5/h6-8H,1-4H2.
What are the key properties of [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
[4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol has a molecular weight of 133.15 g/mol, XLogP of -1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 70467073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).