N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

C20H24F3N3O2 — CID 42395092

IUPACN-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NC1CCCCCC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-7-5-6-14(12-15)13-19-26-25-18(28-19)11-10-17(27)24-16-8-3-1-2-4-9-16/h5-7,12,16H,1-4,8-11,13H2,(H,24,27)
InChIKeyLVRYMDCSCMCOOU-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.45
Rot. Bonds6

About N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42395092) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42395092
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NC1CCCCCC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-7-5-6-14(12-15)13-19-26-25-18(28-19)11-10-17(27)24-16-8-3-1-2-4-9-16/h5-7,12,16H,1-4,8-11,13H2,(H,24,27)
InChIKeyLVRYMDCSCMCOOU-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 17440127
N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42360109
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279
N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42384402
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
1-thiomorpholin-4-yl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25372606
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169267

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42395092) is N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is LVRYMDCSCMCOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)15-7-5-6-14(12-15)13-19-26-25-18(28-19)11-10-17(27)24-16-8-3-1-2-4-9-16/h5-7,12,16H,1-4,8-11,13H2,(H,24,27).
What are the key properties of N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 395.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).