4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol

C17H22F3N3O2 — CID 75449345

IUPAC4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C17H22F3N3O2/c1-16(2,3)13(8-9-24)21-10-14-22-15(23-25-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,21,24H,8-10H2,1-3H3
InChIKeyJSOZPBJEFZLLCZ-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.64
Rot. Bonds6

About 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol

4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol (PubChem CID 75449345) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol
PubChem CID75449345
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C17H22F3N3O2/c1-16(2,3)13(8-9-24)21-10-14-22-15(23-25-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,21,24H,8-10H2,1-3H3
InChIKeyJSOZPBJEFZLLCZ-UHFFFAOYSA-N
XLogP3.64
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol with MolForge

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Related Compounds

2-chloro-4-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 43052558
3-chloro-2-fluoro-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55552308
(2S)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutan-1-ol
CID 95562723
(2R)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutan-1-ol
CID 95562724
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 6927988
(2R,6S)-2,6-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 25310094
N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537386
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
CID 45235261
5-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32742768
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347420
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol (CID 75449345) is 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol is CC(C)(C)C(CCO)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol?
The InChIKey is JSOZPBJEFZLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-16(2,3)13(8-9-24)21-10-14-22-15(23-25-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,21,24H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol?
4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol has a molecular weight of 357.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 75449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).