2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid

C8H11NO3 — CID 23006343

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
SMILESCc1noc(C)c1C(C)C(=O)O
InChIInChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11)
InChIKeyAQRVUMXOCHIWOV-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.48
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid

2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 23006343) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID23006343
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
SMILESCc1noc(C)c1C(C)C(=O)O
InChIInChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11)
InChIKeyAQRVUMXOCHIWOV-UHFFFAOYSA-N
XLogP1.48
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid (CID 23006343) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid is Cc1noc(C)c1C(C)C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is AQRVUMXOCHIWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 23006343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).