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

C25H27N3O3 — CID 10173261

IUPACN-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C25H27N3O3/c1-18-11-13-28(14-12-18)25(30)22-17-31-24(27-22)21-9-7-20(8-10-21)16-26-23(29)15-19-5-3-2-4-6-19/h2-10,17-18H,11-16H2,1H3,(H,26,29)
InChIKeyUZWDLFXGQMRURD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.07
Rot. Bonds6

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

N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 10173261) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID10173261
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C25H27N3O3/c1-18-11-13-28(14-12-18)25(30)22-17-31-24(27-22)21-9-7-20(8-10-21)16-26-23(29)15-19-5-3-2-4-6-19/h2-10,17-18H,11-16H2,1H3,(H,26,29)
InChIKeyUZWDLFXGQMRURD-UHFFFAOYSA-N
XLogP4.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (CID 10173261) is N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is CC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1.
What is the InChIKey of N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is UZWDLFXGQMRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-11-13-28(14-12-18)25(30)22-17-31-24(27-22)21-9-7-20(8-10-21)16-26-23(29)15-19-5-3-2-4-6-19/h2-10,17-18H,11-16H2,1H3,(H,26,29).
What are the key properties of N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 417.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 10173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).