4-(hydroxymethyl)-1,3-oxazolidin-2-one

C4H7NO3 — CID 14456889

IUPAC4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)CO1
InChIInChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7)
InChIKeyMEXGFDVEUOGVFI-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.91
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-oxazolidin-2-one

4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 14456889) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID14456889
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)CO1
InChIInChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7)
InChIKeyMEXGFDVEUOGVFI-UHFFFAOYSA-N
XLogP-0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,3-oxazolidin-2-one
CID 9855455
(4R)-4-(Hydroxymethyl)-2-oxazolidinone
CID 9855463
(S)-4-Methyloxazolidin-2-one
CID 8063308
(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14456890
4-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 57488730
(R)-4-Methyloxazolidin-2-one
CID 2734858
Ethyl (1-hydroxypropan-2-yl)carbamate
CID 12632741
ethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 12632742
ethyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 55303613
4-(Hydroxymethyl)oxazolidine-2,5-dione
CID 86082
(S)-4-(Fluoromethyl)oxazolidin-2-one
CID 124173708
(R)-4-(Fluoromethyl)oxazolidin-2-one
CID 135393146

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 14456889) is 4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1NC(CO)CO1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is MEXGFDVEUOGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7).
What are the key properties of 4-(hydroxymethyl)-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 117.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14456889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).