2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid

C15H17NO4 — CID 116690113

IUPAC2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCCCC1Oc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H17NO4/c1-9-4-2-3-5-12(9)19-15-16-11-7-6-10(14(17)18)8-13(11)20-15/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyFNVHOUWCAXVXMU-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid

2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690113) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690113
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCCCC1Oc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H17NO4/c1-9-4-2-3-5-12(9)19-15-16-11-7-6-10(14(17)18)8-13(11)20-15/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyFNVHOUWCAXVXMU-UHFFFAOYSA-N
XLogP3.48
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid (CID 116690113) is 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid is CC1CCCCC1Oc1nc2ccc(C(=O)O)cc2o1.
What is the InChIKey of 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is FNVHOUWCAXVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-4-2-3-5-12(9)19-15-16-11-7-6-10(14(17)18)8-13(11)20-15/h6-9,12H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid?
2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)oxy-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).