4-cyclobutyl-1,3-oxazole-2-carboxylic acid

C8H9NO3 — CID 105433313

IUPAC4-cyclobutyl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCC2)co1
InChIInChI=1S/C8H9NO3/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyBWZKWECPMBUEDG-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.64
Rot. Bonds2

About 4-cyclobutyl-1,3-oxazole-2-carboxylic acid

4-cyclobutyl-1,3-oxazole-2-carboxylic acid (PubChem CID 105433313) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-cyclobutyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-1,3-oxazole-2-carboxylic acid
PubChem CID105433313
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-cyclobutyl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCC2)co1
InChIInChI=1S/C8H9NO3/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyBWZKWECPMBUEDG-UHFFFAOYSA-N
XLogP1.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-1,3-oxazol-2-amine
CID 105427970
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one
CID 68637080
4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
6-cyclobutylpyridazine-3-carboxylic acid
CID 171323003
3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
2-chloro-4-cyclopropyl-1,3-oxazole
CID 91433552
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105462756
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-cyclobutyl-1,3-oxazole-2-carboxylic acid (CID 105433313) is 4-cyclobutyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(C2CCC2)co1.
What is the InChIKey of 4-cyclobutyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is BWZKWECPMBUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 4-cyclobutyl-1,3-oxazole-2-carboxylic acid?
4-cyclobutyl-1,3-oxazole-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105433313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).