2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole

C15H10FN3O3 — CID 29263901

IUPAC2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3ccccc3F)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H10FN3O3/c1-9-8-10(6-7-13(9)19(20)21)14-17-18-15(22-14)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyHBPNTMCPTUGVHC-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 29263901) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
PubChem CID29263901
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3ccccc3F)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H10FN3O3/c1-9-8-10(6-7-13(9)19(20)21)14-17-18-15(22-14)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyHBPNTMCPTUGVHC-UHFFFAOYSA-N
XLogP3.76
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 781493
[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071105
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
2-(3-methyl-4-nitrophenyl)-5-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2727706
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
N-ethyl-3-[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137793
2-(4-methyl-3-nitrophenyl)-5-[4-[4-[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 3603078
2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 17359287
2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
2-(2-fluorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 8565587
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole (CID 29263901) is 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3ccccc3F)o2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is HBPNTMCPTUGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c1-9-8-10(6-7-13(9)19(20)21)14-17-18-15(22-14)11-4-2-3-5-12(11)16/h2-8H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 299.26 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 29263901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).