N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide

C11H8ClFN8O — CID 89342612

IUPACN'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1ccc(F)c(Cl)c1)c1nonc1Cn1cnnn1
InChIInChI=1S/C11H8ClFN8O/c12-7-3-6(1-2-8(7)13)16-11(14)10-9(17-22-18-10)4-21-5-15-19-20-21/h1-3,5H,4H2,(H2,14,16)
InChIKeySALZATWQABHJJO-UHFFFAOYSA-N
MW322.69 g/mol
LogP0.93
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide

N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 89342612) has the molecular formula C11H8ClFN8O and a molecular weight of 322.69 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID89342612
Molecular FormulaC11H8ClFN8O
Molecular Weight322.69 g/mol
Exact Mass322.05
IUPAC NameN'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1ccc(F)c(Cl)c1)c1nonc1Cn1cnnn1
InChIInChI=1S/C11H8ClFN8O/c12-7-3-6(1-2-8(7)13)16-11(14)10-9(17-22-18-10)4-21-5-15-19-20-21/h1-3,5H,4H2,(H2,14,16)
InChIKeySALZATWQABHJJO-UHFFFAOYSA-N
XLogP0.93
TPSA120.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.69
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide (CID 89342612) is N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\c1ccc(F)c(Cl)c1)c1nonc1Cn1cnnn1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is SALZATWQABHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN8O/c12-7-3-6(1-2-8(7)13)16-11(14)10-9(17-22-18-10)4-21-5-15-19-20-21/h1-3,5H,4H2,(H2,14,16).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 322.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 89342612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).