3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C18H14F3N3O2S — CID 155414346

IUPAC3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cnn(Cc4cccs4)c3)cc2)=NO1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)17(25)8-16(23-26-17)13-5-3-12(4-6-13)14-9-22-24(10-14)11-15-2-1-7-27-15/h1-7,9-10,25H,8,11H2
InChIKeyFTZMGQOGWHQKKK-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.04
Rot. Bonds4

About 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155414346) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155414346
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cnn(Cc4cccs4)c3)cc2)=NO1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)17(25)8-16(23-26-17)13-5-3-12(4-6-13)14-9-22-24(10-14)11-15-2-1-7-27-15/h1-7,9-10,25H,8,11H2
InChIKeyFTZMGQOGWHQKKK-UHFFFAOYSA-N
XLogP4.04
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]aniline
CID 63327910
3-(4-thiophen-3-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413892
3-(4-pyrimidin-5-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 142608931
5-[chloro(difluoro)methyl]-3-[4-(1-methylpyrazol-4-yl)phenyl]-4H-1,2-oxazol-5-ol
CID 155413951
3-[4-[(2-benzylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412880
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzaldehyde
CID 155412938
3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744106
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
3-[4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414103
3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413393
3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413144

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155414346) is 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(-c3cnn(Cc4cccs4)c3)cc2)=NO1.
What is the InChIKey of 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is FTZMGQOGWHQKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)17(25)8-16(23-26-17)13-5-3-12(4-6-13)14-9-22-24(10-14)11-15-2-1-7-27-15/h1-7,9-10,25H,8,11H2.
What are the key properties of 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 393.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).