2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid

C15H17NO3 — CID 54270263

IUPAC2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C15H17NO3/c17-14(18)9-10-6-7-12-13(8-10)19-15(16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18)
InChIKeyRJPQYRSNQVZBNQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.50
Rot. Bonds3

About 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid

2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid (PubChem CID 54270263) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
PubChem CID54270263
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C15H17NO3/c17-14(18)9-10-6-7-12-13(8-10)19-15(16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18)
InChIKeyRJPQYRSNQVZBNQ-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
CID 21199294
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72904518
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
CID 82230661
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid (CID 54270263) is 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid is O=C(O)Cc1ccc2nc(C3CCCCC3)oc2c1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid?
The InChIKey is RJPQYRSNQVZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(18)9-10-6-7-12-13(8-10)19-15(16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18).
What are the key properties of 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid?
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid has a molecular weight of 259.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid is sourced from PubChem (CID 54270263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).