1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C18H18F3N5O3 — CID 71905916

IUPAC1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)no1)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H18F3N5O3/c1-25(10-14-23-16(24-29-14)18(19,20)21)15(27)11-6-8-26(9-7-11)17-22-12-4-2-3-5-13(12)28-17/h2-5,11H,6-10H2,1H3
InChIKeyXCIBFNLOTJBESX-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.10
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 71905916) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID71905916
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)no1)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H18F3N5O3/c1-25(10-14-23-16(24-29-14)18(19,20)21)15(27)11-6-8-26(9-7-11)17-22-12-4-2-3-5-13(12)28-17/h2-5,11H,6-10H2,1H3
InChIKeyXCIBFNLOTJBESX-UHFFFAOYSA-N
XLogP3.10
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 71905916) is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CN(Cc1nc(C(F)(F)F)no1)C(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is XCIBFNLOTJBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-25(10-14-23-16(24-29-14)18(19,20)21)15(27)11-6-8-26(9-7-11)17-22-12-4-2-3-5-13(12)28-17/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71905916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).