3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid

C14H19NO3 — CID 140554225

IUPAC3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid
SMILESCC(C)(C)C1CNC(c2cccc(C(=O)O)c2)O1
InChIInChI=1S/C14H19NO3/c1-14(2,3)11-8-15-12(18-11)9-5-4-6-10(7-9)13(16)17/h4-7,11-12,15H,8H2,1-3H3,(H,16,17)
InChIKeyLXEJYAFHNSOCBL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.42
Rot. Bonds2

About 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid

3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid (PubChem CID 140554225) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid
PubChem CID140554225
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid
SMILESCC(C)(C)C1CNC(c2cccc(C(=O)O)c2)O1
InChIInChI=1S/C14H19NO3/c1-14(2,3)11-8-15-12(18-11)9-5-4-6-10(7-9)13(16)17/h4-7,11-12,15H,8H2,1-3H3,(H,16,17)
InChIKeyLXEJYAFHNSOCBL-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid?
The IUPAC name of 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid (CID 140554225) is 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid.
What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid?
The canonical SMILES for 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid is CC(C)(C)C1CNC(c2cccc(C(=O)O)c2)O1.
What is the InChIKey of 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid?
The InChIKey is LXEJYAFHNSOCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)11-8-15-12(18-11)9-5-4-6-10(7-9)13(16)17/h4-7,11-12,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid?
3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-oxazolidin-2-yl)benzoic acid is sourced from PubChem (CID 140554225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).