3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C15H16F3N4O4P — CID 162734295

IUPAC3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCOP(=O)(Cc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)OCC
InChIInChI=1S/C15H16F3N4O4P/c1-3-24-27(23,25-4-2)9-11-8-22-6-5-10(7-12(22)19-11)13-20-14(26-21-13)15(16,17)18/h5-8H,3-4,9H2,1-2H3
InChIKeyJVKOSHCIEKUUGJ-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.17
Rot. Bonds7

About 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 162734295) has the molecular formula C15H16F3N4O4P and a molecular weight of 404.29 g/mol. Its IUPAC name is 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID162734295
Molecular FormulaC15H16F3N4O4P
Molecular Weight404.29 g/mol
Exact Mass404.09
IUPAC Name3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCOP(=O)(Cc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)OCC
InChIInChI=1S/C15H16F3N4O4P/c1-3-24-27(23,25-4-2)9-11-8-22-6-5-10(7-12(22)19-11)13-20-14(26-21-13)15(16,17)18/h5-8H,3-4,9H2,1-2H3
InChIKeyJVKOSHCIEKUUGJ-UHFFFAOYSA-N
XLogP4.17
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708438
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
N-(2-methoxyethyl)-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532709
3-[2-[(2-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162532747
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
CID 164518360
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155708425
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino-methyl-oxo-(3,3,3-trifluoropropyl)-λ6-sulfane
CID 164518472
7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532689
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532742
N-[(4-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532736
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
CID 162532733

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 162734295) is 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is CCOP(=O)(Cc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1)OCC.
What is the InChIKey of 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is JVKOSHCIEKUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N4O4P/c1-3-24-27(23,25-4-2)9-11-8-22-6-5-10(7-12(22)19-11)13-20-14(26-21-13)15(16,17)18/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 404.29 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162734295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).