2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid

C8H13NO4 — CID 175434618

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid
SMILESCOC(C)C(C(=O)O)C1=NCCO1
InChIInChI=1S/C8H13NO4/c1-5(12-2)6(8(10)11)7-9-3-4-13-7/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyAUDVHYUVIZMUKQ-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.15
Rot. Bonds4

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid

2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid (PubChem CID 175434618) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid
PubChem CID175434618
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid
SMILESCOC(C)C(C(=O)O)C1=NCCO1
InChIInChI=1S/C8H13NO4/c1-5(12-2)6(8(10)11)7-9-3-4-13-7/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyAUDVHYUVIZMUKQ-UHFFFAOYSA-N
XLogP0.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid (CID 175434618) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid is COC(C)C(C(=O)O)C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid?
The InChIKey is AUDVHYUVIZMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(12-2)6(8(10)11)7-9-3-4-13-7/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid?
2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxybutanoic acid is sourced from PubChem (CID 175434618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).