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

C16H16F3N3O2 — CID 71230750

IUPACN-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15-21-13(22-24-15)10-6-8-11(9-7-10)14(23)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,23)
InChIKeyUVRXMEVVBPJLKM-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.82
Rot. Bonds3

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

N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230750) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230750
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15-21-13(22-24-15)10-6-8-11(9-7-10)14(23)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,23)
InChIKeyUVRXMEVVBPJLKM-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230750) is N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NC1CCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UVRXMEVVBPJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)15-21-13(22-24-15)10-6-8-11(9-7-10)14(23)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,23).
What are the key properties of N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 339.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).