3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C23H20FN3O2 — CID 16677274

IUPAC3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H20FN3O2/c1-15-20(17-9-11-19(24)12-10-17)27-29-22(15)23(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-15,21-22H,1H3,(H,26,28)
InChIKeyIYYDYLUMERKHEI-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.87
Rot. Bonds5

About 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16677274) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16677274
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H20FN3O2/c1-15-20(17-9-11-19(24)12-10-17)27-29-22(15)23(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-15,21-22H,1H3,(H,26,28)
InChIKeyIYYDYLUMERKHEI-UHFFFAOYSA-N
XLogP3.87
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16677274) is 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1C(c2ccc(F)cc2)=NOC1C(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IYYDYLUMERKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-20(17-9-11-19(24)12-10-17)27-29-22(15)23(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-15,21-22H,1H3,(H,26,28).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16677274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).