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

C7H9NO3 — CID 82416426

IUPAC2-methyl-2-(1,3-oxazol-5-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cnco1
InChIInChI=1S/C7H9NO3/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10)
InChIKeyXCMJPNYKKFSZCL-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.04
Rot. Bonds2

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

2-methyl-2-(1,3-oxazol-5-yl)propanoic acid (PubChem CID 82416426) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-oxazol-5-yl)propanoic acid
PubChem CID82416426
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-methyl-2-(1,3-oxazol-5-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cnco1
InChIInChI=1S/C7H9NO3/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10)
InChIKeyXCMJPNYKKFSZCL-UHFFFAOYSA-N
XLogP1.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-Oxazol-5-yl)ethan-1-ol
CID 358996
5-Oxazoleacetic acid, methyl ester
CID 15153249
2-(2-Methyl-1,3-oxazol-5-yl)acetic acid
CID 58189150
2-(2-Tert-butyl-1,3-oxazol-5-YL)acetic acid
CID 82407315
Potassium 2-(1,3-oxazol-5-yl)acetate
CID 138040195
Oxazole-5-acetic Acid
CID 21197975
Ethyl 2,2-difluoro-2-(1,3-oxazol-5-yl)acetate
CID 140207165
Methyl 4,4-difluoro-2-(1,3-oxazol-5-yl)butanoate
CID 169116021
4,4-Difluoro-2-(1,3-oxazol-5-yl)butanoic acid
CID 169116036
2-(2,2-Difluoroethyl)-4,4-difluoro-2-(1,3-oxazol-5-yl)butanoic acid
CID 169781553
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84764060
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
CID 84766371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid (CID 82416426) is 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid is CC(C)(C(=O)O)c1cnco1.
What is the InChIKey of 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid?
The InChIKey is XCMJPNYKKFSZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid?
2-methyl-2-(1,3-oxazol-5-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82416426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).