3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C11H6BrF3N4OS — CID 135353219

IUPAC3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cn3cc(Br)cn3)s2)no1
InChIInChI=1S/C11H6BrF3N4OS/c12-6-3-16-19(4-6)5-7-1-2-8(21-7)9-17-10(20-18-9)11(13,14)15/h1-4H,5H2
InChIKeyKSKYGHNFHOAXBX-UHFFFAOYSA-N
MW379.16 g/mol
LogP3.82
Rot. Bonds3

About 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 135353219) has the molecular formula C11H6BrF3N4OS and a molecular weight of 379.16 g/mol. Its IUPAC name is 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID135353219
Molecular FormulaC11H6BrF3N4OS
Molecular Weight379.16 g/mol
Exact Mass377.94
IUPAC Name3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cn3cc(Br)cn3)s2)no1
InChIInChI=1S/C11H6BrF3N4OS/c12-6-3-16-19(4-6)5-7-1-2-8(21-7)9-17-10(20-18-9)11(13,14)15/h1-4H,5H2
InChIKeyKSKYGHNFHOAXBX-UHFFFAOYSA-N
XLogP3.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 135353219) is 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(Cn3cc(Br)cn3)s2)no1.
What is the InChIKey of 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is KSKYGHNFHOAXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N4OS/c12-6-3-16-19(4-6)5-7-1-2-8(21-7)9-17-10(20-18-9)11(13,14)15/h1-4H,5H2.
What are the key properties of 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 379.16 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-bromopyrazol-1-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 135353219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).