N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide

C17H18F3N3O4 — CID 154839522

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)no1
InChIInChI=1S/C17H18F3N3O4/c1-9-7-12(14(26-9)17(18,19)20)16(25)23-5-3-11(4-6-23)15(24)21-13-8-10(2)27-22-13/h7-8,11H,3-6H2,1-2H3,(H,21,22,24)
InChIKeyGSNIZUAXYMEOTF-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.39
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide (PubChem CID 154839522) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide
PubChem CID154839522
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)no1
InChIInChI=1S/C17H18F3N3O4/c1-9-7-12(14(26-9)17(18,19)20)16(25)23-5-3-11(4-6-23)15(24)21-13-8-10(2)27-22-13/h7-8,11H,3-6H2,1-2H3,(H,21,22,24)
InChIKeyGSNIZUAXYMEOTF-UHFFFAOYSA-N
XLogP3.39
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide (CID 154839522) is N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is GSNIZUAXYMEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-9-7-12(14(26-9)17(18,19)20)16(25)23-5-3-11(4-6-23)15(24)21-13-8-10(2)27-22-13/h7-8,11H,3-6H2,1-2H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 154839522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).