methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

C22H20ClN3O3 — CID 158205821

IUPACmethyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12
InChIInChI=1S/C22H20ClN3O3/c1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyYBZJQAZXUILFED-SNAWJCMRSA-N
MW409.87 g/mol
LogP4.79
Rot. Bonds4

About methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 158205821) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID158205821
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Namemethyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12
InChIInChI=1S/C22H20ClN3O3/c1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyYBZJQAZXUILFED-SNAWJCMRSA-N
XLogP4.79
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (CID 158205821) is methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12.
What is the InChIKey of methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is YBZJQAZXUILFED-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20/h4-10,12-13H,11H2,1-3H3/b5-4+.
What are the key properties of methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?
methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 409.87 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 158205821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).