6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide

C20H15F6N3O3 — CID 42629075

IUPAC6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C20H15F6N3O3/c1-11-14(17(29-32-11)13-4-2-3-5-15(13)21)9-31-16-7-6-12(8-27-16)18(30)28-10-19(22,23)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30)
InChIKeyUFFWAFAEVCQASF-UHFFFAOYSA-N
MW459.35 g/mol
LogP4.69
Rot. Bonds7

About 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide

6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide (PubChem CID 42629075) has the molecular formula C20H15F6N3O3 and a molecular weight of 459.35 g/mol. Its IUPAC name is 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide
PubChem CID42629075
Molecular FormulaC20H15F6N3O3
Molecular Weight459.35 g/mol
Exact Mass459.10
IUPAC Name6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C20H15F6N3O3/c1-11-14(17(29-32-11)13-4-2-3-5-15(13)21)9-31-16-7-6-12(8-27-16)18(30)28-10-19(22,23)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30)
InChIKeyUFFWAFAEVCQASF-UHFFFAOYSA-N
XLogP4.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide (CID 42629075) is 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide is Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide?
The InChIKey is UFFWAFAEVCQASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O3/c1-11-14(17(29-32-11)13-4-2-3-5-15(13)21)9-31-16-7-6-12(8-27-16)18(30)28-10-19(22,23)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30).
What are the key properties of 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide?
6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide has a molecular weight of 459.35 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 42629075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).