4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one

C10H3ClFN5O4S — CID 139461492

IUPAC4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nsnc2[N+](=O)[O-])n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H3ClFN5O4S/c11-5-3-4(1-2-6(5)12)16-8(13-21-10(16)18)7-9(17(19)20)15-22-14-7/h1-3H
InChIKeyXSXDIBPZPFXNNH-UHFFFAOYSA-N
MW343.68 g/mol
LogP2.04
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one

4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one (PubChem CID 139461492) has the molecular formula C10H3ClFN5O4S and a molecular weight of 343.68 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one
PubChem CID139461492
Molecular FormulaC10H3ClFN5O4S
Molecular Weight343.68 g/mol
Exact Mass342.96
IUPAC Name4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nsnc2[N+](=O)[O-])n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H3ClFN5O4S/c11-5-3-4(1-2-6(5)12)16-8(13-21-10(16)18)7-9(17(19)20)15-22-14-7/h1-3H
InChIKeyXSXDIBPZPFXNNH-UHFFFAOYSA-N
XLogP2.04
TPSA116.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.68
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-4-fluorophenyl)-3-[4-(2-hydroxyethyl)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 58941786
CID 160937538
CID 160937538
4-(3-chloro-4-fluorophenyl)-3-[4-[2-(iodoamino)ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 143496412
4-(3-chloro-4-fluorophenyl)-5-oxo-3-[4-[2-(sulfinatoamino)ethylamino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
CID 66606395
4-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]butanamide
CID 139461582
3-[3-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]propyl]-4-methylcyclobut-3-ene-1,2-dione
CID 159144317
3-[4-(3-aminopropylamino)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one;2,2,2-trifluoroacetic acid
CID 66605856
(2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide
CID 142341969
tert-butyl 3-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]propanoate
CID 139507047
3-[2-(bromomethyl)-6,7-difluoro-3H-indol-4-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 157434101
(3S)-3-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]butane-1-sulfonamide
CID 160532486
4-(3-chloro-4-fluorophenyl)-3-[6,7-difluoro-2-(hydroxymethyl)-3H-benzimidazol-4-yl]-1,2,4-oxadiazol-5-one
CID 122686838

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one (CID 139461492) is 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one is O=c1onc(-c2nsnc2[N+](=O)[O-])n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The InChIKey is XSXDIBPZPFXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClFN5O4S/c11-5-3-4(1-2-6(5)12)16-8(13-21-10(16)18)7-9(17(19)20)15-22-14-7/h1-3H.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one?
4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one has a molecular weight of 343.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-3-(4-nitro-1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 139461492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).