3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid

C12H9N3O3 — CID 82373625

IUPAC3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cn3ccccc3n2)noc1C(=O)O
InChIInChI=1S/C12H9N3O3/c1-7-10(14-18-11(7)12(16)17)8-6-15-5-3-2-4-9(15)13-8/h2-6H,1H3,(H,16,17)
InChIKeyWTUPCSDVMMGMHD-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.00
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid

3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82373625) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82373625
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cn3ccccc3n2)noc1C(=O)O
InChIInChI=1S/C12H9N3O3/c1-7-10(14-18-11(7)12(16)17)8-6-15-5-3-2-4-9(15)13-8/h2-6H,1H3,(H,16,17)
InChIKeyWTUPCSDVMMGMHD-UHFFFAOYSA-N
XLogP2.00
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bet-IN-19
CID 121375819
2-[1-[2-[(5-Cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225451
2-[1-[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225937
3-(Tert-butylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117834596
2-(5-Methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488777
7-Methyl-2-(5-methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488778
US11014912, Example 16
CID 134400214
[6-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 153515745
4-[6-(3,5-Dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162656607
[3-[8-(3,5-Dimethyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]methanol
CID 134806680
3,5-Dimethyl-4-(6-phenylimidazo[1,5-a]pyridin-8-yl)-1,2-oxazole
CID 134806708
[4-[8-(3,5-Dimethyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]methanol
CID 134807275

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82373625) is 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid is Cc1c(-c2cn3ccccc3n2)noc1C(=O)O.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is WTUPCSDVMMGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-7-10(14-18-11(7)12(16)17)8-6-15-5-3-2-4-9(15)13-8/h2-6H,1H3,(H,16,17).
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).