5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid

C9H12N2O3 — CID 82373279

IUPAC5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
SMILESCN(C)c1c(C(=O)O)noc1C1CC1
InChIInChI=1S/C9H12N2O3/c1-11(2)7-6(9(12)13)10-14-8(7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKSQGBYDMCVMSN-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.32
Rot. Bonds3

About 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid

5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid (PubChem CID 82373279) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
PubChem CID82373279
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
SMILESCN(C)c1c(C(=O)O)noc1C1CC1
InChIInChI=1S/C9H12N2O3/c1-11(2)7-6(9(12)13)10-14-8(7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKSQGBYDMCVMSN-UHFFFAOYSA-N
XLogP1.32
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid (CID 82373279) is 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid is CN(C)c1c(C(=O)O)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid?
The InChIKey is FKSQGBYDMCVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(2)7-6(9(12)13)10-14-8(7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid?
5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82373279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).