5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid

C11H15NO3 — CID 115026295

IUPAC5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(c2cc(C(=O)O)no2)CCCCC1
InChIInChI=1S/C11H15NO3/c1-11(5-3-2-4-6-11)9-7-8(10(13)14)12-15-9/h7H,2-6H2,1H3,(H,13,14)
InChIKeyAWFMVJFSNUICMW-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.59
Rot. Bonds2

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

5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115026295) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
PubChem CID115026295
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(c2cc(C(=O)O)no2)CCCCC1
InChIInChI=1S/C11H15NO3/c1-11(5-3-2-4-6-11)9-7-8(10(13)14)12-15-9/h7H,2-6H2,1H3,(H,13,14)
InChIKeyAWFMVJFSNUICMW-UHFFFAOYSA-N
XLogP2.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid (CID 115026295) is 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid is CC1(c2cc(C(=O)O)no2)CCCCC1.
What is the InChIKey of 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is AWFMVJFSNUICMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(5-3-2-4-6-11)9-7-8(10(13)14)12-15-9/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid?
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115026295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).