3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

C7H13NO3 — CID 83815643

IUPAC3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)CN1CCOC1=O
InChIInChI=1S/C7H13NO3/c1-7(2,10)5-8-3-4-11-6(8)9/h10H,3-5H2,1-2H3
InChIKeyJJEFLLWKVNDNGS-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.21
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 83815643) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID83815643
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)CN1CCOC1=O
InChIInChI=1S/C7H13NO3/c1-7(2,10)5-8-3-4-11-6(8)9/h10H,3-5H2,1-2H3
InChIKeyJJEFLLWKVNDNGS-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 130168503
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
CID 87093982
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 104550408
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol
CID 117236046
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol
CID 117236043

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (CID 83815643) is 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)(O)CN1CCOC1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is JJEFLLWKVNDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,10)5-8-3-4-11-6(8)9/h10H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 159.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 83815643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).