4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C8H15NO3 — CID 115064054

IUPAC4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OCC1CCO
InChIInChI=1S/C8H15NO3/c1-6(2)9-7(3-4-10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyZPWLQKPTDKUIAC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds3

About 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 115064054) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID115064054
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OCC1CCO
InChIInChI=1S/C8H15NO3/c1-6(2)9-7(3-4-10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyZPWLQKPTDKUIAC-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one
CID 117009603
3-(1-ethoxyethyl)-4-ethyl-1,3-oxazolidin-2-one
CID 23248339
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2794001
3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one
CID 10490991
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 115064054) is 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)OCC1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZPWLQKPTDKUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)9-7(3-4-10)5-12-8(9)11/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).