3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

C24H23FN4O3 — CID 21088409

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C24H23FN4O3/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-13-11-18(30)12-14-28)32-24(27-23)29-15-26-19-3-1-2-4-20(19)29/h1-8,15,18,30H,9-14H2
InChIKeyZAAWAGNEAWQQIZ-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.74
Rot. Bonds5

About 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 21088409) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID21088409
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C24H23FN4O3/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-13-11-18(30)12-14-28)32-24(27-23)29-15-26-19-3-1-2-4-20(19)29/h1-8,15,18,30H,9-14H2
InChIKeyZAAWAGNEAWQQIZ-UHFFFAOYSA-N
XLogP3.74
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 21088409) is 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is ZAAWAGNEAWQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-13-11-18(30)12-14-28)32-24(27-23)29-15-26-19-3-1-2-4-20(19)29/h1-8,15,18,30H,9-14H2.
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 434.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 21088409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).