N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide

C26H24FN3O3 — CID 44597224

IUPACN-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1
InChIInChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31)
InChIKeyXIQQHIURKOKROB-UHFFFAOYSA-N
MW445.49 g/mol
LogP6.07
Rot. Bonds7

About N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide

N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide (PubChem CID 44597224) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide
PubChem CID44597224
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1
InChIInChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31)
InChIKeyXIQQHIURKOKROB-UHFFFAOYSA-N
XLogP6.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide (CID 44597224) is N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide?
The InChIKey is XIQQHIURKOKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31).
What are the key properties of N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide?
N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide has a molecular weight of 445.49 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide is sourced from PubChem (CID 44597224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).