3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole

C14H9FN4O4 — CID 40676082

IUPAC3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ncccc1OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H9FN4O4/c15-10-5-3-9(4-6-10)13-17-12(23-18-13)8-22-11-2-1-7-16-14(11)19(20)21/h1-7H,8H2
InChIKeyZZPQLTYSUCIVOM-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.76
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 40676082) has the molecular formula C14H9FN4O4 and a molecular weight of 316.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
PubChem CID40676082
Molecular FormulaC14H9FN4O4
Molecular Weight316.25 g/mol
Exact Mass316.06
IUPAC Name3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ncccc1OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H9FN4O4/c15-10-5-3-9(4-6-10)13-17-12(23-18-13)8-22-11-2-1-7-16-14(11)19(20)21/h1-7H,8H2
InChIKeyZZPQLTYSUCIVOM-UHFFFAOYSA-N
XLogP2.76
TPSA104.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

3-(4-ethylphenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
CID 8648665
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
5-[(4-nitrophenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19657979
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
3-(4-methylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-oxadiazole;hydrate
CID 139086057
5-[2-(3,5-dinitrophenyl)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 155924554
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089
5-[(2,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 876326
3-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 974907
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole (CID 40676082) is 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole is O=[N+]([O-])c1ncccc1OCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is ZZPQLTYSUCIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O4/c15-10-5-3-9(4-6-10)13-17-12(23-18-13)8-22-11-2-1-7-16-14(11)19(20)21/h1-7H,8H2.
What are the key properties of 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 316.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 40676082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).