N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide

C23H18FN3O2 — CID 118706306

IUPACN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H18FN3O2/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(29-27-22)26-20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2,(H,26,28)
InChIKeyNPBKOLXERPKHMY-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide

N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 118706306) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID118706306
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H18FN3O2/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(29-27-22)26-20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2,(H,26,28)
InChIKeyNPBKOLXERPKHMY-UHFFFAOYSA-N
XLogP5.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 118706306) is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is NPBKOLXERPKHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(29-27-22)26-20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2,(H,26,28).
What are the key properties of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 387.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 118706306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).