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

C18H20F3N3O2 — CID 138489709

IUPACN-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-15(24-26-17)12-8-10-13(11-9-12)16(25)22-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,22,25)
InChIKeyDVUYWKMAWXYRLI-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.60
Rot. Bonds3

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

N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489709) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489709
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-15(24-26-17)12-8-10-13(11-9-12)16(25)22-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,22,25)
InChIKeyDVUYWKMAWXYRLI-UHFFFAOYSA-N
XLogP4.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
cis-(1R,3S)-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677738
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99815479
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
N-cyclopropyl-2-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146268616
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881614
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
CID 130442122
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120530908
N-(cyclopropylmethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813056
N-(3-hydroxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230893

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489709) is N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NC1CCCCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is DVUYWKMAWXYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-15(24-26-17)12-8-10-13(11-9-12)16(25)22-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,22,25).
What are the key properties of N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 367.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).