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

C9H17NO3 — CID 130168503

IUPAC3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C)(O)CN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-7(2)9(3,12)6-10-4-5-13-8(10)11/h7,12H,4-6H2,1-3H3
InChIKeyYMBYURWWSZSRDG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.85
Rot. Bonds3

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

3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one (PubChem CID 130168503) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one
PubChem CID130168503
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C)(O)CN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-7(2)9(3,12)6-10-4-5-13-8(10)11/h7,12H,4-6H2,1-3H3
InChIKeyYMBYURWWSZSRDG-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
CID 87093982
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 104550408
tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate
CID 58799894
3-(3-amino-2-methylpropyl)-1,3-oxazolidin-2-one
CID 43367837
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
3-(3-amino-2-hydroxypropyl)-1,3-oxazolidin-2-one
CID 43186640
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
CID 110746780
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one (CID 130168503) is 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one is CC(C)C(C)(O)CN1CCOC1=O.
What is the InChIKey of 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The InChIKey is YMBYURWWSZSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)9(3,12)6-10-4-5-13-8(10)11/h7,12H,4-6H2,1-3H3.
What are the key properties of 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one?
3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130168503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).