5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid

C7H7NO4 — CID 146220605

IUPAC5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2COC2)on1
InChIInChI=1S/C7H7NO4/c9-7(10)5-1-6(12-8-5)4-2-11-3-4/h1,4H,2-3H2,(H,9,10)
InChIKeyUXYQUAQHIWLWQD-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.49
Rot. Bonds2

About 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid

5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 146220605) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID146220605
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2COC2)on1
InChIInChI=1S/C7H7NO4/c9-7(10)5-1-6(12-8-5)4-2-11-3-4/h1,4H,2-3H2,(H,9,10)
InChIKeyUXYQUAQHIWLWQD-UHFFFAOYSA-N
XLogP0.49
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
CID 146220661
5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid
CID 115093875
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
5-(thiolan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115021654
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148687
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
5-[4-(oxetan-3-ylsulfanyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117444036
N-[8-[[3-(2-hydroxyethylamino)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148443
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124861804
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid (CID 146220605) is 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C2COC2)on1.
What is the InChIKey of 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UXYQUAQHIWLWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-7(10)5-1-6(12-8-5)4-2-11-3-4/h1,4H,2-3H2,(H,9,10).
What are the key properties of 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 146220605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).