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

C10H7N5O3S — CID 52619765

IUPAC3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cnn(Cc2noc(-c3cccs3)n2)c1
InChIInChI=1S/C10H7N5O3S/c16-15(17)7-4-11-14(5-7)6-9-12-10(18-13-9)8-2-1-3-19-8/h1-5H,6H2
InChIKeyUIILWUGSJDSWBD-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.95
Rot. Bonds4

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

3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 52619765) has the molecular formula C10H7N5O3S and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID52619765
Molecular FormulaC10H7N5O3S
Molecular Weight277.26 g/mol
Exact Mass277.03
IUPAC Name3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cnn(Cc2noc(-c3cccs3)n2)c1
InChIInChI=1S/C10H7N5O3S/c16-15(17)7-4-11-14(5-7)6-9-12-10(18-13-9)8-2-1-3-19-8/h1-5H,6H2
InChIKeyUIILWUGSJDSWBD-UHFFFAOYSA-N
XLogP1.95
TPSA99.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 52619765) is 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole is O=[N+]([O-])c1cnn(Cc2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is UIILWUGSJDSWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c16-15(17)7-4-11-14(5-7)6-9-12-10(18-13-9)8-2-1-3-19-8/h1-5H,6H2.
What are the key properties of 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 277.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 52619765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).