3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid

C9H13NO3 — CID 83828594

IUPAC3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)no1
InChIInChI=1S/C9H13NO3/c1-3-8-5-7(10-13-8)4-6(2)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeySBBGSCUUPVAAJC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.50
Rot. Bonds4

About 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid

3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid (PubChem CID 83828594) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
PubChem CID83828594
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)no1
InChIInChI=1S/C9H13NO3/c1-3-8-5-7(10-13-8)4-6(2)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeySBBGSCUUPVAAJC-UHFFFAOYSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid (CID 83828594) is 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid is CCc1cc(CC(C)C(=O)O)no1.
What is the InChIKey of 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The InChIKey is SBBGSCUUPVAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-8-5-7(10-13-8)4-6(2)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid?
3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83828594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).