3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C23H24FN3O2 — CID 50795629

IUPAC3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H24FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-10-16-6-4-5-7-16)23-27-26-22(29-23)18-8-2-1-3-9-18/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,25,28)
InChIKeyYSPAQRQSOYZTHQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.05
Rot. Bonds7

About 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 50795629) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID50795629
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H24FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-10-16-6-4-5-7-16)23-27-26-22(29-23)18-8-2-1-3-9-18/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,25,28)
InChIKeyYSPAQRQSOYZTHQ-UHFFFAOYSA-N
XLogP5.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 50795629) is 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is O=C(CCC1CCCC1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is YSPAQRQSOYZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-10-16-6-4-5-7-16)23-27-26-22(29-23)18-8-2-1-3-9-18/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,25,28).
What are the key properties of 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 393.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 50795629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).