2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

C23H19F2N3O2 — CID 78605292

IUPAC2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1F)CC1CC(c2ccccn2)=NO1
InChIInChI=1S/C23H19F2N3O2/c24-19-9-3-1-7-16(19)14-28(23(29)18-8-2-4-10-20(18)25)15-17-13-22(27-30-17)21-11-5-6-12-26-21/h1-12,17H,13-15H2
InChIKeyNROBDUDDWKWMJN-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.20
Rot. Bonds6

About 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 78605292) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID78605292
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1F)CC1CC(c2ccccn2)=NO1
InChIInChI=1S/C23H19F2N3O2/c24-19-9-3-1-7-16(19)14-28(23(29)18-8-2-4-10-20(18)25)15-17-13-22(27-30-17)21-11-5-6-12-26-21/h1-12,17H,13-15H2
InChIKeyNROBDUDDWKWMJN-UHFFFAOYSA-N
XLogP4.20
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (CID 78605292) is 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccccc1F)CC1CC(c2ccccn2)=NO1.
What is the InChIKey of 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is NROBDUDDWKWMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-19-9-3-1-7-16(19)14-28(23(29)18-8-2-4-10-20(18)25)15-17-13-22(27-30-17)21-11-5-6-12-26-21/h1-12,17H,13-15H2.
What are the key properties of 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 407.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-fluorophenyl)methyl]-N-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 78605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).