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

C14H15NO3 — CID 28752317

IUPAC2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C14H15NO3/c16-14(17)10-6-7-12-11(8-10)15-13(18-12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeyFGTCASPERLWPLF-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.57
Rot. Bonds2

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

2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid (PubChem CID 28752317) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
PubChem CID28752317
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C14H15NO3/c16-14(17)10-6-7-12-11(8-10)15-13(18-12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeyFGTCASPERLWPLF-UHFFFAOYSA-N
XLogP3.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
2-(2-methylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357730
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357946
2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358583
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 176515559
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid (CID 28752317) is 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(C3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is FGTCASPERLWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(17)10-6-7-12-11(8-10)15-13(18-12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17).
What are the key properties of 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid?
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 28752317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).