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

C19H14F3N5O — CID 55897310

IUPAC2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFC(F)(F)c1cccc(-c2noc(CNc3ccccc3-n3cccn3)n2)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)14-6-3-5-13(11-14)18-25-17(28-26-18)12-23-15-7-1-2-8-16(15)27-10-4-9-24-27/h1-11,23H,12H2
InChIKeyOIFBQQPANSFQEE-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.55
Rot. Bonds5

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

2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 55897310) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID55897310
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFC(F)(F)c1cccc(-c2noc(CNc3ccccc3-n3cccn3)n2)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)14-6-3-5-13(11-14)18-25-17(28-26-18)12-23-15-7-1-2-8-16(15)27-10-4-9-24-27/h1-11,23H,12H2
InChIKeyOIFBQQPANSFQEE-UHFFFAOYSA-N
XLogP4.55
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 87029316
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55897568
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46558716
5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 18136131
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
3-chloro-2-fluoro-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55552308
1-(2-pyrazol-1-ylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47040921
N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 83278485
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
4-methyl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]chromen-2-one
CID 42949726
N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 55897310) is 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline is FC(F)(F)c1cccc(-c2noc(CNc3ccccc3-n3cccn3)n2)c1.
What is the InChIKey of 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is OIFBQQPANSFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)14-6-3-5-13(11-14)18-25-17(28-26-18)12-23-15-7-1-2-8-16(15)27-10-4-9-24-27/h1-11,23H,12H2.
What are the key properties of 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline?
2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 385.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 55897310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).