5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H15NO3 — CID 66832151

IUPAC5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C2CCCCC2)C1
InChIInChI=1S/C10H15NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13)
InChIKeyZOFLWOLMUVEQKR-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.80
Rot. Bonds2

About 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 66832151) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID66832151
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C2CCCCC2)C1
InChIInChI=1S/C10H15NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13)
InChIKeyZOFLWOLMUVEQKR-UHFFFAOYSA-N
XLogP1.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 66832151) is 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C2CCCCC2)C1.
What is the InChIKey of 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZOFLWOLMUVEQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13).
What are the key properties of 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 66832151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).