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

C17H18F3N3O2 — CID 71557005

IUPACN-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1CCCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16-22-15(23-25-16)12-8-6-11(7-9-12)10-14(24)21-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,21,24)
InChIKeyMRSJMFYROWFVHU-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.75
Rot. Bonds4

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

N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 71557005) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID71557005
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1CCCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16-22-15(23-25-16)12-8-6-11(7-9-12)10-14(24)21-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,21,24)
InChIKeyMRSJMFYROWFVHU-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
1-(2,2-difluorocyclopropyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
CID 157360628
1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
CID 158108713
N-cyclopropyl-2-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146268616
4-piperidin-1-yl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-one
CID 159688802
N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155768249

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 71557005) is N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is MRSJMFYROWFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)16-22-15(23-25-16)12-8-6-11(7-9-12)10-14(24)21-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,21,24).
What are the key properties of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 71557005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).