N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H24F3N3O2 — CID 53382902

IUPACN-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(C2CCNCC2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H24F3N3O2/c1-2-3-9-25-18(27)16-17(14-5-4-6-15(12-14)20(21,22)23)28-19(26-16)13-7-10-24-11-8-13/h4-6,12-13,24H,2-3,7-11H2,1H3,(H,25,27)
InChIKeyPMAPLVFHKAXGEQ-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.36
Rot. Bonds6

About N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53382902) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53382902
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(C2CCNCC2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H24F3N3O2/c1-2-3-9-25-18(27)16-17(14-5-4-6-15(12-14)20(21,22)23)28-19(26-16)13-7-10-24-11-8-13/h4-6,12-13,24H,2-3,7-11H2,1H3,(H,25,27)
InChIKeyPMAPLVFHKAXGEQ-UHFFFAOYSA-N
XLogP4.36
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53382902) is N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(C2CCNCC2)oc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PMAPLVFHKAXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-2-3-9-25-18(27)16-17(14-5-4-6-15(12-14)20(21,22)23)28-19(26-16)13-7-10-24-11-8-13/h4-6,12-13,24H,2-3,7-11H2,1H3,(H,25,27).
What are the key properties of N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53382902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).