N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide

C24H24FN3O3 — CID 44415782

IUPACN-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESC1CN(CCC1F)C(=O)C2=COC(=N2)C3=CC=C(C=C3)CNC(=O)CC4=CC=CC=C4
InChIInChI=1S/C24H24FN3O3/c25-20-10-12-28(13-11-20)24(30)21-16-31-23(27-21)19-8-6-18(7-9-19)15-26-22(29)14-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,26,29)
InChIKeyUXWBIXQDKKBBNJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.40
Rot. Bonds6

About N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide

N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 44415782) has the molecular formula C24H24FN3O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID44415782
Molecular FormulaC24H24FN3O3
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESC1CN(CCC1F)C(=O)C2=COC(=N2)C3=CC=C(C=C3)CNC(=O)CC4=CC=CC=C4
InChIInChI=1S/C24H24FN3O3/c25-20-10-12-28(13-11-20)24(30)21-16-31-23(27-21)19-8-6-18(7-9-19)15-26-22(29)14-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,26,29)
InChIKeyUXWBIXQDKKBBNJ-UHFFFAOYSA-N
XLogP3.40
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity597

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (CID 44415782) is N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is C1CN(CCC1F)C(=O)C2=COC(=N2)C3=CC=C(C=C3)CNC(=O)CC4=CC=CC=C4.
What is the InChIKey of N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is UXWBIXQDKKBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-10-12-28(13-11-20)24(30)21-16-31-23(27-21)19-8-6-18(7-9-19)15-26-22(29)14-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,26,29).
What are the key properties of N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 421.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 44415782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).