(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate

C16H17N3O3 — CID 75483262

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(C)(C)c1cnc(COC(=O)c2ccn3cncc3c2)o1
InChIInChI=1S/C16H17N3O3/c1-16(2,3)13-8-18-14(22-13)9-21-15(20)11-4-5-19-10-17-7-12(19)6-11/h4-8,10H,9H2,1-3H3
InChIKeyHNZFYMKZLOAPOF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.98
Rot. Bonds3

About (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate

(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 75483262) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID75483262
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(C)(C)c1cnc(COC(=O)c2ccn3cncc3c2)o1
InChIInChI=1S/C16H17N3O3/c1-16(2,3)13-8-18-14(22-13)9-21-15(20)11-4-5-19-10-17-7-12(19)6-11/h4-8,10H,9H2,1-3H3
InChIKeyHNZFYMKZLOAPOF-UHFFFAOYSA-N
XLogP2.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate (CID 75483262) is (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate is CC(C)(C)c1cnc(COC(=O)c2ccn3cncc3c2)o1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is HNZFYMKZLOAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(2,3)13-8-18-14(22-13)9-21-15(20)11-4-5-19-10-17-7-12(19)6-11/h4-8,10H,9H2,1-3H3.
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 75483262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).