N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C23H24FN3O3 — CID 53180481

IUPACN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN3O3/c24-19-8-6-18(7-9-19)21-15-27(23(29)30-21)16-22(28)25-20-10-12-26(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,25,28)
InChIKeyPCEZICNRHAMLGD-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.03
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180481) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180481
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN3O3/c24-19-8-6-18(7-9-19)21-15-27(23(29)30-21)16-22(28)25-20-10-12-26(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,25,28)
InChIKeyPCEZICNRHAMLGD-UHFFFAOYSA-N
XLogP3.03
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180481) is N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is PCEZICNRHAMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-19-8-6-18(7-9-19)21-15-27(23(29)30-21)16-22(28)25-20-10-12-26(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).