N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide

C17H18F3N3O2 — CID 50755143

IUPACN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1noc(C2CCCCC2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-9-5-4-8-12(13)15(24)21-10-14-22-16(25-23-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,24)
InChIKeyXZLVMQJEZBWECC-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.07
Rot. Bonds4

About N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 50755143) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID50755143
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1noc(C2CCCCC2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-9-5-4-8-12(13)15(24)21-10-14-22-16(25-23-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,24)
InChIKeyXZLVMQJEZBWECC-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 121018813
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide
CID 166545161
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
CID 50755095
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (CID 50755143) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1noc(C2CCCCC2)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XZLVMQJEZBWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)13-9-5-4-8-12(13)15(24)21-10-14-22-16(25-23-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,24).
What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 353.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 50755143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).