2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid

C8H9NO3 — CID 83873592

IUPAC2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid
SMILESCc1nc2c(o1)CCC2C(=O)O
InChIInChI=1S/C8H9NO3/c1-4-9-7-5(8(10)11)2-3-6(7)12-4/h5H,2-3H2,1H3,(H,10,11)
InChIKeyCXTFUFWQLGNYCM-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid

2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid (PubChem CID 83873592) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid
PubChem CID83873592
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid
SMILESCc1nc2c(o1)CCC2C(=O)O
InChIInChI=1S/C8H9NO3/c1-4-9-7-5(8(10)11)2-3-6(7)12-4/h5H,2-3H2,1H3,(H,10,11)
InChIKeyCXTFUFWQLGNYCM-UHFFFAOYSA-N
XLogP1.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid (CID 83873592) is 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid is Cc1nc2c(o1)CCC2C(=O)O.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid?
The InChIKey is CXTFUFWQLGNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-9-7-5(8(10)11)2-3-6(7)12-4/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole-4-carboxylic acid is sourced from PubChem (CID 83873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).