2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole

C15H7F4N3O3S — CID 8565587

IUPAC2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H7F4N3O3S/c16-10-4-2-1-3-9(10)13-20-21-14(25-13)26-12-6-5-8(15(17,18)19)7-11(12)22(23)24/h1-7H
InChIKeyMEUHLHZUKMJDBT-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 8565587) has the molecular formula C15H7F4N3O3S and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
PubChem CID8565587
Molecular FormulaC15H7F4N3O3S
Molecular Weight385.30 g/mol
Exact Mass385.01
IUPAC Name2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H7F4N3O3S/c16-10-4-2-1-3-9(10)13-20-21-14(25-13)26-12-6-5-8(15(17,18)19)7-11(12)22(23)24/h1-7H
InChIKeyMEUHLHZUKMJDBT-UHFFFAOYSA-N
XLogP4.95
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(2-bromophenyl)-5-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 92695252
2-(2-chlorophenyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole
CID 29106633
2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CID 29263901
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3880301
2-[3-(difluoromethoxy)-4-nitrophenyl]sulfanyl-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 133425713
2-(2-chlorophenyl)-5-[3-(difluoromethoxy)-4-nitrophenyl]sulfanyl-1,3,4-oxadiazole
CID 133426033
2,3,5,6-tetrafluoro-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid
CID 2800843
2-(4-chloro-2-nitrophenyl)sulfanyl-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 9335813
4-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole
CID 2804863
2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 781493
2-(furan-2-yl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole
CID 18191272
1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone
CID 9333358

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole (CID 8565587) is 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is MEUHLHZUKMJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4N3O3S/c16-10-4-2-1-3-9(10)13-20-21-14(25-13)26-12-6-5-8(15(17,18)19)7-11(12)22(23)24/h1-7H.
What are the key properties of 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 385.30 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 8565587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).