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

C8H9NO3 — CID 82597264

IUPAC1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2(C(=O)O)CC2)o1
InChIInChI=1S/C8H9NO3/c1-5-9-4-6(12-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyBMOMRKCXMFOCOC-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds2

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

1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 82597264) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID82597264
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2(C(=O)O)CC2)o1
InChIInChI=1S/C8H9NO3/c1-5-9-4-6(12-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyBMOMRKCXMFOCOC-UHFFFAOYSA-N
XLogP1.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid (CID 82597264) is 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid is Cc1ncc(C2(C(=O)O)CC2)o1.
What is the InChIKey of 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BMOMRKCXMFOCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-9-4-6(12-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid?
1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82597264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).