5-cyclopropyl-1,2-oxazole-3-carboxylic acid

C7H7NO3 — CID 1092113

IUPAC5-cyclopropyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)on1
InChIInChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKeyOWMVXHFZCCPOTD-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.25
Rot. Bonds2

About 5-cyclopropyl-1,2-oxazole-3-carboxylic acid

5-cyclopropyl-1,2-oxazole-3-carboxylic acid (PubChem CID 1092113) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-3-carboxylic acid
PubChem CID1092113
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-cyclopropyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)on1
InChIInChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKeyOWMVXHFZCCPOTD-UHFFFAOYSA-N
XLogP1.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
3-Methyl-5-isoxazolecarboxylic acid
CID 76947
5-Ethyl-1,2-oxazole-3-carboxylic acid
CID 6483811
5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 6483812
5-Cyclohexyl-1,2-oxazole-3-carboxylic acid
CID 21445302
[5-(Propan-2-yl)-1,2-oxazol-3-yl]methanol
CID 25220768
5-Propyl-1,2-oxazole-3-carboxylic acid
CID 1132871
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
3-(3-Methyl-1,2-oxazol-5-yl)propanoic acid
CID 10419396
5-tert-Butyl-1,2-oxazole-3-carboxylic acid
CID 17389664
5-Acetyl-1,2-oxazole-3-carboxylic acid
CID 17867521

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-3-carboxylic acid (CID 1092113) is 5-cyclopropyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is OWMVXHFZCCPOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10).
What are the key properties of 5-cyclopropyl-1,2-oxazole-3-carboxylic acid?
5-cyclopropyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 1092113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).