2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C14H12F3N3O2S — CID 110006274

IUPAC2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ncc(-c3cccs3)o2)nc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)13-9(3-4-21)7-20(19-13)8-12-18-6-10(22-12)11-2-1-5-23-11/h1-2,5-7,21H,3-4,8H2
InChIKeyWJVSKMPZOHMSDF-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110006274) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110006274
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ncc(-c3cccs3)o2)nc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)13-9(3-4-21)7-20(19-13)8-12-18-6-10(22-12)11-2-1-5-23-11/h1-2,5-7,21H,3-4,8H2
InChIKeyWJVSKMPZOHMSDF-UHFFFAOYSA-N
XLogP3.20
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol with MolForge

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Related Compounds

2-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006291
2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86815616
2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006370
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006327
2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol
CID 121213881
4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
CID 111457014
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione
CID 56785010
3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006229
1-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111111054
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 56898289

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110006274) is 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is OCCc1cn(Cc2ncc(-c3cccs3)o2)nc1C(F)(F)F.
What is the InChIKey of 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is WJVSKMPZOHMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)13-9(3-4-21)7-20(19-13)8-12-18-6-10(22-12)11-2-1-5-23-11/h1-2,5-7,21H,3-4,8H2.
What are the key properties of 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 343.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110006274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).