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

C9H17NO3 — CID 3029687

IUPAC4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1C(=O)OCC1(C)CO
InChIInChI=1S/C9H17NO3/c1-7(2)4-10-8(12)13-6-9(10,3)5-11/h7,11H,4-6H2,1-3H3
InChIKeyKWPACZBTDNBCTA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.85
Rot. Bonds3

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

4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3029687) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3029687
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1C(=O)OCC1(C)CO
InChIInChI=1S/C9H17NO3/c1-7(2)4-10-8(12)13-6-9(10,3)5-11/h7,11H,4-6H2,1-3H3
InChIKeyKWPACZBTDNBCTA-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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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3029687) is 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CN1C(=O)OCC1(C)CO.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is KWPACZBTDNBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)4-10-8(12)13-6-9(10,3)5-11/h7,11H,4-6H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-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 4-(hydroxymethyl)-4-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3029687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).