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

C11H15NO3 — CID 105462756

IUPAC4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1C1CCCCC1
InChIInChI=1S/C11H15NO3/c1-7-9(8-5-3-2-4-6-8)12-10(15-7)11(13)14/h8H,2-6H2,1H3,(H,13,14)
InChIKeyTVXSBCXFYWCAHP-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.73
Rot. Bonds2

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

4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 105462756) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID105462756
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1C1CCCCC1
InChIInChI=1S/C11H15NO3/c1-7-9(8-5-3-2-4-6-8)12-10(15-7)11(13)14/h8H,2-6H2,1H3,(H,13,14)
InChIKeyTVXSBCXFYWCAHP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
4-bromo-5-methyl-1,3-oxazole-2-carboxylic acid
CID 130056638
4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
CID 84713707
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole
CID 170382647
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865686
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 114207942
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid (CID 105462756) is 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid is Cc1oc(C(=O)O)nc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is TVXSBCXFYWCAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-9(8-5-3-2-4-6-8)12-10(15-7)11(13)14/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid?
4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105462756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).