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

C8H13NO4 — CID 115102416

IUPAC4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1C1CCCO1
InChIInChI=1S/C8H13NO4/c10-4-6-5-13-8(11)9(6)7-2-1-3-12-7/h6-7,10H,1-5H2
InChIKeyABEKYFYBDMGTAJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.06
Rot. Bonds2

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

4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115102416) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
PubChem CID115102416
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1C1CCCO1
InChIInChI=1S/C8H13NO4/c10-4-6-5-13-8(11)9(6)7-2-1-3-12-7/h6-7,10H,1-5H2
InChIKeyABEKYFYBDMGTAJ-UHFFFAOYSA-N
XLogP-0.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 130149088
4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102357
4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115102459
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
CID 115103002
3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115102503
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011500
4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
CID 115102521
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
CID 115102433
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 158540944
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one (CID 115102416) is 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one is O=C1OCC(CO)N1C1CCCO1.
What is the InChIKey of 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is ABEKYFYBDMGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-6-5-13-8(11)9(6)7-2-1-3-12-7/h6-7,10H,1-5H2.
What are the key properties of 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 187.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).