2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

C14H14N4O3 — CID 79232711

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1noc(C)c1CNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H14N4O3/c1-8-10(9(2)21-17-8)7-15-13-12(14(19)20)18-6-4-3-5-11(18)16-13/h3-6,15H,7H2,1-2H3,(H,19,20)
InChIKeyDEZZZTQWDBGFRN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.25
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 79232711) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID79232711
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1noc(C)c1CNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H14N4O3/c1-8-10(9(2)21-17-8)7-15-13-12(14(19)20)18-6-4-3-5-11(18)16-13/h3-6,15H,7H2,1-2H3,(H,19,20)
InChIKeyDEZZZTQWDBGFRN-UHFFFAOYSA-N
XLogP2.25
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 79232711) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1noc(C)c1CNc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is DEZZZTQWDBGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-10(9(2)21-17-8)7-15-13-12(14(19)20)18-6-4-3-5-11(18)16-13/h3-6,15H,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 79232711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).