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

C19H22F3N3O3 — CID 42360109

IUPACN-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCC1CCOCC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)15-3-1-2-14(10-15)11-18-25-24-17(28-18)5-4-16(26)23-12-13-6-8-27-9-7-13/h1-3,10,13H,4-9,11-12H2,(H,23,26)
InChIKeyZOWXGCPAQJVHRU-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.15
Rot. Bonds7

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

N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42360109) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42360109
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCC1CCOCC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)15-3-1-2-14(10-15)11-18-25-24-17(28-18)5-4-16(26)23-12-13-6-8-27-9-7-13/h1-3,10,13H,4-9,11-12H2,(H,23,26)
InChIKeyZOWXGCPAQJVHRU-UHFFFAOYSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42384402
1-thiomorpholin-4-yl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25372606
5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118554973
(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
CID 25488769
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200584
3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 24792963
(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 89484445
N-cycloheptyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 17440127
3-[5-[(E)-C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]-N-(oxan-4-ylmethyl)propanamide
CID 57415598

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42360109) is N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ZOWXGCPAQJVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c20-19(21,22)15-3-1-2-14(10-15)11-18-25-24-17(28-18)5-4-16(26)23-12-13-6-8-27-9-7-13/h1-3,10,13H,4-9,11-12H2,(H,23,26).
What are the key properties of N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 397.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42360109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).