2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C27H24N4O3 — CID 112795092

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C27H24N4O3/c1-18-23(19(2)34-30-18)17-33-22-13-11-20(12-14-22)16-25(32)29-27-26(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)27/h3-15H,16-17H2,1-2H3,(H,29,32)
InChIKeyGQPQDIXMJAPXKY-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.37
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 112795092) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID112795092
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C27H24N4O3/c1-18-23(19(2)34-30-18)17-33-22-13-11-20(12-14-22)16-25(32)29-27-26(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)27/h3-15H,16-17H2,1-2H3,(H,29,32)
InChIKeyGQPQDIXMJAPXKY-UHFFFAOYSA-N
XLogP5.37
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 112795092) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is GQPQDIXMJAPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-18-23(19(2)34-30-18)17-33-22-13-11-20(12-14-22)16-25(32)29-27-26(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)27/h3-15H,16-17H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 452.51 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 112795092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).