3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol

C19H18F3N3O2 — CID 155948445

IUPAC3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol
SMILESCC(CNCc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18F3N3O2/c1-12(18-24-17(25-27-18)14-5-3-2-4-6-14)10-23-11-13-7-15(19(20,21)22)9-16(26)8-13/h2-9,12,23,26H,10-11H2,1H3
InChIKeyCKRSTAQWTYRYMI-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.35
Rot. Bonds6

About 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol

3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol (PubChem CID 155948445) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol
PubChem CID155948445
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol
SMILESCC(CNCc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18F3N3O2/c1-12(18-24-17(25-27-18)14-5-3-2-4-6-14)10-23-11-13-7-15(19(20,21)22)9-16(26)8-13/h2-9,12,23,26H,10-11H2,1H3
InChIKeyCKRSTAQWTYRYMI-UHFFFAOYSA-N
XLogP4.35
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
N-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347563
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
5-[(2S)-1-nitrosopropan-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 167046833
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
2-methyl-3-phenyl-N-[1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cycloprop-2-ene-1-carboxamide
CID 171353424
N-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 58933136

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol (CID 155948445) is 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol is CC(CNCc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol?
The InChIKey is CKRSTAQWTYRYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-12(18-24-17(25-27-18)14-5-3-2-4-6-14)10-23-11-13-7-15(19(20,21)22)9-16(26)8-13/h2-9,12,23,26H,10-11H2,1H3.
What are the key properties of 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol?
3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol has a molecular weight of 377.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155948445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).