3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C15H13N3O4 — CID 117482150

IUPAC3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cn(C)c(=O)n1-c1cccc(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C15H13N3O4/c1-9-8-17(2)15(21)18(9)11-5-3-4-10(6-11)12-7-13(14(19)20)22-16-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQUGHUJGWYPHRQE-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.84
Rot. Bonds3

About 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117482150) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117482150
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cn(C)c(=O)n1-c1cccc(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C15H13N3O4/c1-9-8-17(2)15(21)18(9)11-5-3-4-10(6-11)12-7-13(14(19)20)22-16-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQUGHUJGWYPHRQE-UHFFFAOYSA-N
XLogP1.84
TPSA90.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117482150) is 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is Cc1cn(C)c(=O)n1-c1cccc(-c2cc(C(=O)O)on2)c1.
What is the InChIKey of 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is QUGHUJGWYPHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-9-8-17(2)15(21)18(9)11-5-3-4-10(6-11)12-7-13(14(19)20)22-16-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117482150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).