2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate

C16H14N2O4 — CID 70431859

IUPAC2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate
SMILESO=C(OCCOc1ccccc1)c1[nH]c(=O)n2ccccc12
InChIInChI=1S/C16H14N2O4/c19-15(22-11-10-21-12-6-2-1-3-7-12)14-13-8-4-5-9-18(13)16(20)17-14/h1-9H,10-11H2,(H,17,20)
InChIKeyJHPLMPBAMIKXJI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.86
Rot. Bonds5

About 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate

2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 70431859) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID70431859
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate
SMILESO=C(OCCOc1ccccc1)c1[nH]c(=O)n2ccccc12
InChIInChI=1S/C16H14N2O4/c19-15(22-11-10-21-12-6-2-1-3-7-12)14-13-8-4-5-9-18(13)16(20)17-14/h1-9H,10-11H2,(H,17,20)
InChIKeyJHPLMPBAMIKXJI-UHFFFAOYSA-N
XLogP1.86
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate (CID 70431859) is 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate is O=C(OCCOc1ccccc1)c1[nH]c(=O)n2ccccc12.
What is the InChIKey of 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is JHPLMPBAMIKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15(22-11-10-21-12-6-2-1-3-7-12)14-13-8-4-5-9-18(13)16(20)17-14/h1-9H,10-11H2,(H,17,20).
What are the key properties of 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate?
2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 70431859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).