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

C11H12N2O3 — CID 4962533

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(-n2c(C)cc(C(=O)O)c2C)no1
InChIInChI=1S/C11H12N2O3/c1-6-4-9(11(14)15)8(3)13(6)10-5-7(2)16-12-10/h4-5H,1-3H3,(H,14,15)
InChIKeyVZCAPDCBGHRAFS-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.09
Rot. Bonds2

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

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid (PubChem CID 4962533) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid
PubChem CID4962533
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(-n2c(C)cc(C(=O)O)c2C)no1
InChIInChI=1S/C11H12N2O3/c1-6-4-9(11(14)15)8(3)13(6)10-5-7(2)16-12-10/h4-5H,1-3H3,(H,14,15)
InChIKeyVZCAPDCBGHRAFS-UHFFFAOYSA-N
XLogP2.09
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid (CID 4962533) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid is Cc1cc(-n2c(C)cc(C(=O)O)c2C)no1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid?
The InChIKey is VZCAPDCBGHRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-4-9(11(14)15)8(3)13(6)10-5-7(2)16-12-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 4962533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).