methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate

C15H12N6O3 — CID 167934302

IUPACmethyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Cn3cc(-c4ccon4)nn3)cn12
InChIInChI=1S/C15H12N6O3/c1-23-15(22)13-3-2-4-14-16-10(8-21(13)14)7-20-9-12(17-19-20)11-5-6-24-18-11/h2-6,8-9H,7H2,1H3
InChIKeyVHBVJFLUNJWXBD-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 167934302) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID167934302
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Namemethyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Cn3cc(-c4ccon4)nn3)cn12
InChIInChI=1S/C15H12N6O3/c1-23-15(22)13-3-2-4-14-16-10(8-21(13)14)7-20-9-12(17-19-20)11-5-6-24-18-11/h2-6,8-9H,7H2,1H3
InChIKeyVHBVJFLUNJWXBD-UHFFFAOYSA-N
XLogP1.42
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 167934302) is methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(Cn3cc(-c4ccon4)nn3)cn12.
What is the InChIKey of methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is VHBVJFLUNJWXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-23-15(22)13-3-2-4-14-16-10(8-21(13)14)7-20-9-12(17-19-20)11-5-6-24-18-11/h2-6,8-9H,7H2,1H3.
What are the key properties of methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 167934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).