N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C18H20F3N3O4 — CID 138996285

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H20F3N3O4/c1-11-15(12(2)28-23-11)22-16(25)24-8-6-17(26,7-9-24)13-4-3-5-14(10-13)27-18(19,20)21/h3-5,10,26H,6-9H2,1-2H3,(H,22,25)
InChIKeyKIYWYOYQBWVPEL-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.71
Rot. Bonds3

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 138996285) has the molecular formula C18H20F3N3O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID138996285
Molecular FormulaC18H20F3N3O4
Molecular Weight399.37 g/mol
Exact Mass399.14
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H20F3N3O4/c1-11-15(12(2)28-23-11)22-16(25)24-8-6-17(26,7-9-24)13-4-3-5-14(10-13)27-18(19,20)21/h3-5,10,26H,6-9H2,1-2H3,(H,22,25)
InChIKeyKIYWYOYQBWVPEL-UHFFFAOYSA-N
XLogP3.71
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 138996285) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is Cc1noc(C)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is KIYWYOYQBWVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4/c1-11-15(12(2)28-23-11)22-16(25)24-8-6-17(26,7-9-24)13-4-3-5-14(10-13)27-18(19,20)21/h3-5,10,26H,6-9H2,1-2H3,(H,22,25).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 138996285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).