3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide

C18H13F2N5O3 — CID 44539340

IUPAC3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(O)C(=O)c1nc(Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)no1
InChIInChI=1S/C18H13F2N5O3/c1-24(27)18(26)17-21-14(23-28-17)8-13-16(10-2-4-11(19)5-3-10)22-15-7-6-12(20)9-25(13)15/h2-7,9,27H,8H2,1H3
InChIKeyYYOMABVKRUMJLU-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.71
Rot. Bonds4

About 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 44539340) has the molecular formula C18H13F2N5O3 and a molecular weight of 385.33 g/mol. Its IUPAC name is 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID44539340
Molecular FormulaC18H13F2N5O3
Molecular Weight385.33 g/mol
Exact Mass385.10
IUPAC Name3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(O)C(=O)c1nc(Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)no1
InChIInChI=1S/C18H13F2N5O3/c1-24(27)18(26)17-21-14(23-28-17)8-13-16(10-2-4-11(19)5-3-10)22-15-7-6-12(20)9-25(13)15/h2-7,9,27H,8H2,1H3
InChIKeyYYOMABVKRUMJLU-UHFFFAOYSA-N
XLogP2.71
TPSA96.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 44539340) is 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide is CN(O)C(=O)c1nc(Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)no1.
What is the InChIKey of 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YYOMABVKRUMJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O3/c1-24(27)18(26)17-21-14(23-28-17)8-13-16(10-2-4-11(19)5-3-10)22-15-7-6-12(20)9-25(13)15/h2-7,9,27H,8H2,1H3.
What are the key properties of 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 385.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 44539340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).