4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole

C14H13F3N4O — CID 91198391

IUPAC4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole
SMILESCc1cc(C2ON=C(c3ccc(C(F)(F)F)cc3)N2C)n[nH]1
InChIInChI=1S/C14H13F3N4O/c1-8-7-11(19-18-8)13-21(2)12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7,13H,1-2H3,(H,18,19)
InChIKeyWZISXRRVAVLOQG-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.06
Rot. Bonds2

About 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole

4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole (PubChem CID 91198391) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole
PubChem CID91198391
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole
SMILESCc1cc(C2ON=C(c3ccc(C(F)(F)F)cc3)N2C)n[nH]1
InChIInChI=1S/C14H13F3N4O/c1-8-7-11(19-18-8)13-21(2)12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7,13H,1-2H3,(H,18,19)
InChIKeyWZISXRRVAVLOQG-UHFFFAOYSA-N
XLogP3.06
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole?
The IUPAC name of 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole (CID 91198391) is 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole is Cc1cc(C2ON=C(c3ccc(C(F)(F)F)cc3)N2C)n[nH]1.
What is the InChIKey of 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole?
The InChIKey is WZISXRRVAVLOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-8-7-11(19-18-8)13-21(2)12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7,13H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole?
4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole has a molecular weight of 310.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-5H-1,2,4-oxadiazole is sourced from PubChem (CID 91198391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).