3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide

C21H18ClN5O3 — CID 103599710

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide (PubChem CID 103599710) has the molecular formula C21H18ClN5O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide
• PubChem CID: 103599710
• Molecular Formula: C21H18ClN5O3
• Molecular Weight: 423.86 g/mol
• Exact Mass: 423.11
• IUPAC Name: 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide
• SMILES: COc1ccccc1C(NC(=O)C=Cc1c(Cl)nc2ccccn12)c1noc(C)n1
• InChI: InChI=1S/C21H18ClN5O3/c1-13-23-21(26-30-13)19(14-7-3-4-8-16(14)29-2)25-18(28)11-10-15-20(22)24-17-9-5-6-12-27(15)17/h3-12,19H,1-2H3,(H,25,28)
• InChIKey: QXIZYAMKWIEKFD-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.86
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide?

The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide (CID 103599710) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide.

What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide?

The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide is COc1ccccc1C(NC(=O)C=Cc1c(Cl)nc2ccccn12)c1noc(C)n1.

What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide?

The InChIKey is QXIZYAMKWIEKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3/c1-13-23-21(26-30-13)19(14-7-3-4-8-16(14)29-2)25-18(28)11-10-15-20(22)24-17-9-5-6-12-27(15)17/h3-12,19H,1-2H3,(H,25,28).

What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide?

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide has a molecular weight of 423.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 103599710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).