2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid

C9H13NO3 — CID 16638605

IUPAC2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)on1
InChIInChI=1S/C9H13NO3/c1-9(2,3)7-4-6(13-10-7)5-8(11)12/h4H,5H2,1-3H3,(H,11,12)
InChIKeyZPFQPHSCCFRMDA-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.60
Rot. Bonds2

About 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid

2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid (PubChem CID 16638605) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid
PubChem CID16638605
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)on1
InChIInChI=1S/C9H13NO3/c1-9(2,3)7-4-6(13-10-7)5-8(11)12/h4H,5H2,1-3H3,(H,11,12)
InChIKeyZPFQPHSCCFRMDA-UHFFFAOYSA-N
XLogP1.60
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid (CID 16638605) is 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid is CC(C)(C)c1cc(CC(=O)O)on1.
What is the InChIKey of 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid?
The InChIKey is ZPFQPHSCCFRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2,3)7-4-6(13-10-7)5-8(11)12/h4H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid?
2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 16638605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).