1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid

C14H15NO3 — CID 117364856

IUPAC1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid
SMILESCc1noc2cccc(C3(C(=O)O)CCCC3)c12
InChIInChI=1S/C14H15NO3/c1-9-12-10(5-4-6-11(12)18-15-9)14(13(16)17)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyJARBROBLZCJUPV-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid

1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 117364856) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid
PubChem CID117364856
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid
SMILESCc1noc2cccc(C3(C(=O)O)CCCC3)c12
InChIInChI=1S/C14H15NO3/c1-9-12-10(5-4-6-11(12)18-15-9)14(13(16)17)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyJARBROBLZCJUPV-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethyl-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117433800
1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
CID 117433819
3-methyl-1,2-benzoxazol-4-ol
CID 135429940
1-(6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
CID 96617960
3-methyl-3-(3-methyl-1,2-benzoxazol-4-yl)butanoic acid
CID 117337922
4-iodo-3-methyl-1,2-benzoxazole
CID 150470662
1-(1,3-benzothiazol-4-yl)cyclopentane-1-carboxylic acid
CID 117370863
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-oxo-1,3-benzoxathiol-7-yl)cyclopentane-1-carboxylic acid
CID 117414967
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid (CID 117364856) is 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid is Cc1noc2cccc(C3(C(=O)O)CCCC3)c12.
What is the InChIKey of 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JARBROBLZCJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-12-10(5-4-6-11(12)18-15-9)14(13(16)17)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid?
1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117364856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).