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

C10H13NO3 — CID 6484168

IUPAC3-cyclohexyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)no1
InChIInChI=1S/C10H13NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyNWLZQPLTGHCFHG-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds2

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

3-cyclohexyl-1,2-oxazole-5-carboxylic acid (PubChem CID 6484168) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-cyclohexyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1,2-oxazole-5-carboxylic acid
PubChem CID6484168
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-cyclohexyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)no1
InChIInChI=1S/C10H13NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyNWLZQPLTGHCFHG-UHFFFAOYSA-N
XLogP2.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1,2-oxazole-5-carboxylic acid (CID 6484168) is 3-cyclohexyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is NWLZQPLTGHCFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13).
What are the key properties of 3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
3-cyclohexyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 6484168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).