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

C20H23F3N4O3 — CID 53168450

IUPACN,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H23F3N4O3/c1-12-16(18(28)26(2)3)25-17(30-12)13-7-9-27(10-8-13)19(29)24-15-6-4-5-14(11-15)20(21,22)23/h4-6,11,13H,7-10H2,1-3H3,(H,24,29)
InChIKeyITPBNBUSLVAIQW-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.12
Rot. Bonds3

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

N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 53168450) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID53168450
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H23F3N4O3/c1-12-16(18(28)26(2)3)25-17(30-12)13-7-9-27(10-8-13)19(29)24-15-6-4-5-14(11-15)20(21,22)23/h4-6,11,13H,7-10H2,1-3H3,(H,24,29)
InChIKeyITPBNBUSLVAIQW-UHFFFAOYSA-N
XLogP4.12
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 53168450) is N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ITPBNBUSLVAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-12-16(18(28)26(2)3)25-17(30-12)13-7-9-27(10-8-13)19(29)24-15-6-4-5-14(11-15)20(21,22)23/h4-6,11,13H,7-10H2,1-3H3,(H,24,29).
What are the key properties of N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).