1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C21H28FN3O2 — CID 47056587

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H28FN3O2/c1-21(2,3)18-13-23-19(27-18)14-25-10-8-16(9-11-25)20(26)24-12-15-4-6-17(22)7-5-15/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,26)
InChIKeyKVZNXYUMTQKOFF-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.64
Rot. Bonds5

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 47056587) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID47056587
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H28FN3O2/c1-21(2,3)18-13-23-19(27-18)14-25-10-8-16(9-11-25)20(26)24-12-15-4-6-17(22)7-5-15/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,26)
InChIKeyKVZNXYUMTQKOFF-UHFFFAOYSA-N
XLogP3.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

US9815796, Example 676
CID 139268591
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 47055602
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
CID 47070693
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
CID 52877914
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 53579650
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
Methyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-(2,5-difluorophenyl)acetate
CID 53589328
5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
CID 71848138

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 47056587) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CC(C)(C)c1cnc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KVZNXYUMTQKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-21(2,3)18-13-23-19(27-18)14-25-10-8-16(9-11-25)20(26)24-12-15-4-6-17(22)7-5-15/h4-7,13,16H,8-12,14H2,1-3H3,(H,24,26).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47056587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).