2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid

C8H9NO3 — CID 64982640

IUPAC2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyVQAPIFVUWQERRL-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.56
Rot. Bonds2

About 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid

2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 64982640) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID64982640
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyVQAPIFVUWQERRL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid (CID 64982640) is 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid is Cc1nc(C2CC2)oc1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is VQAPIFVUWQERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid?
2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 64982640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).