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

C7H9NO3 — CID 10419396

IUPAC3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)on1
InChIInChI=1S/C7H9NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyMWZIPSOUAUOKRJ-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.00
Rot. Bonds3

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

3-(3-methyl-1,2-oxazol-5-yl)propanoic acid (PubChem CID 10419396) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
PubChem CID10419396
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)on1
InChIInChI=1S/C7H9NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyMWZIPSOUAUOKRJ-UHFFFAOYSA-N
XLogP1.00
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-oxazol-5-yl)acetic acid
CID 4195532
3-Ethyl-1,2-oxazole-5-carboxylic acid
CID 6484277
5-Cyclopropyl-1,2-oxazole-3-carboxylic acid
CID 1092113
5-Ethyl-1,2-oxazole-3-carboxylic acid
CID 6483811
5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 6483812
5-Methyl-3-isoxazolepropionic acid
CID 133360
1-(5-Methyl-1,2-oxazol-3-yl)ethan-1-one
CID 11147714
5-Cyclohexyl-1,2-oxazole-3-carboxylic acid
CID 21445302
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
5-Propyl-1,2-oxazole-3-carboxylic acid
CID 1132871
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
(5-Ethyl-1,2-oxazol-3-yl)methanol
CID 12278245

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid (CID 10419396) is 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid is Cc1cc(CCC(=O)O)on1.
What is the InChIKey of 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is MWZIPSOUAUOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
3-(3-methyl-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 10419396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).