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

C9H11NO3 — CID 82600845

IUPAC1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)no1
InChIInChI=1S/C9H11NO3/c1-6-5-7(10-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12)
InChIKeyOXEDFHDRVQJULK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.49
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 82600845) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID82600845
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)no1
InChIInChI=1S/C9H11NO3/c1-6-5-7(10-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12)
InChIKeyOXEDFHDRVQJULK-UHFFFAOYSA-N
XLogP1.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Phenyl-1,2-oxazol-3-yl)acetic acid
CID 23423467
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
2-(5-(Trifluoromethyl)isoxazol-3-yl)acetic acid
CID 2333001
5-Methyl-3-isoxazoleacetic acid
CID 12278254
3(t-Butyl)isoxazole-5-yl-acetic acid
CID 16638605
Methyl 2-(5-methyl-1,2-oxazol-3-yl)acetate
CID 45117967
4-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82412955
2-(5-Cyclopropyl-1,2-oxazol-3-yl)acetic acid
CID 82413932
5-Cyclobutyl-1,2-oxazole-3-carboxylic acid
CID 82413973
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid (CID 82600845) is 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is OXEDFHDRVQJULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-5-7(10-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82600845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).