1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid

C10H13NO3 — CID 82606121

IUPAC1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)on1
InChIInChI=1S/C10H13NO3/c1-7-6-8(14-11-7)10(9(12)13)4-2-3-5-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyHEXDBMHXKNLQOA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid

1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 82606121) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID82606121
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)on1
InChIInChI=1S/C10H13NO3/c1-7-6-8(14-11-7)10(9(12)13)4-2-3-5-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyHEXDBMHXKNLQOA-UHFFFAOYSA-N
XLogP1.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid (CID 82606121) is 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCC2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HEXDBMHXKNLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-6-8(14-11-7)10(9(12)13)4-2-3-5-10/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid?
1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.88, 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-oxazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82606121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).