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

C10H15NO3 — CID 170994370

IUPAC3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid
SMILESCC(C)(C)c1cc(CCC(=O)O)on1
InChIInChI=1S/C10H15NO3/c1-10(2,3)8-6-7(14-11-8)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyRGHXJYMQOWOPNI-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.99
Rot. Bonds3

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

3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid (PubChem CID 170994370) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid
PubChem CID170994370
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid
SMILESCC(C)(C)c1cc(CCC(=O)O)on1
InChIInChI=1S/C10H15NO3/c1-10(2,3)8-6-7(14-11-8)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyRGHXJYMQOWOPNI-UHFFFAOYSA-N
XLogP1.99
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid (CID 170994370) is 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid is CC(C)(C)c1cc(CCC(=O)O)on1.
What is the InChIKey of 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is RGHXJYMQOWOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)8-6-7(14-11-8)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid?
3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 170994370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).