5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C8H15NO3 — CID 14310920

IUPAC5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1OC(=O)NC1CO
InChIInChI=1S/C8H15NO3/c1-8(2,3)6-5(4-10)9-7(11)12-6/h5-6,10H,4H2,1-3H3,(H,9,11)
InChIKeyQFFCNIZBXNUJTI-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.50
Rot. Bonds1

About 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 14310920) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID14310920
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1OC(=O)NC1CO
InChIInChI=1S/C8H15NO3/c1-8(2,3)6-5(4-10)9-7(11)12-6/h5-6,10H,4H2,1-3H3,(H,9,11)
InChIKeyQFFCNIZBXNUJTI-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 14310920) is 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is CC(C)(C)C1OC(=O)NC1CO.
What is the InChIKey of 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QFFCNIZBXNUJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)6-5(4-10)9-7(11)12-6/h5-6,10H,4H2,1-3H3,(H,9,11).
What are the key properties of 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14310920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).