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

C8H11NO3 — CID 82597890

IUPAC2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(C)no1
InChIInChI=1S/C8H11NO3/c1-3-6(8(10)11)7-4-5(2)9-12-7/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyJNYOCSKSPFZSSN-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.56
Rot. Bonds3

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

2-(3-methyl-1,2-oxazol-5-yl)butanoic acid (PubChem CID 82597890) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
PubChem CID82597890
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(C)no1
InChIInChI=1S/C8H11NO3/c1-3-6(8(10)11)7-4-5(2)9-12-7/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyJNYOCSKSPFZSSN-UHFFFAOYSA-N
XLogP1.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.56
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
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3(t-Butyl)isoxazole-5-yl-acetic acid
CID 16638605
2-(3-Methyl-1,2-oxazol-5-yl)ethan-1-ol
CID 52903771
3-(Butan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 54595047
4-(3-Methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
CID 82394680
3-Methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
CID 82407338
1-(5-Methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxylic acid
CID 82597268
1-(3-Methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
CID 82597269
2-Methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
CID 83858682
Myxofacycline A
CID 169492381
Myxofacycline B
CID 169492382

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid (CID 82597890) is 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid is CCC(C(=O)O)c1cc(C)no1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The InChIKey is JNYOCSKSPFZSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-6(8(10)11)7-4-5(2)9-12-7/h4,6H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
2-(3-methyl-1,2-oxazol-5-yl)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 82597890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).