5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one

C15H9FN4O3S — CID 17451834

IUPAC5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H9FN4O3S/c16-10-5-3-9(4-6-10)13-19-20(15(21)23-13)8-12-17-18-14(22-12)11-2-1-7-24-11/h1-7H,8H2
InChIKeyNPFIXFSRMSEGTI-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.80
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 17451834) has the molecular formula C15H9FN4O3S and a molecular weight of 344.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID17451834
Molecular FormulaC15H9FN4O3S
Molecular Weight344.33 g/mol
Exact Mass344.04
IUPAC Name5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H9FN4O3S/c16-10-5-3-9(4-6-10)13-19-20(15(21)23-13)8-12-17-18-14(22-12)11-2-1-7-24-11/h1-7H,8H2
InChIKeyNPFIXFSRMSEGTI-UHFFFAOYSA-N
XLogP2.80
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one (CID 17451834) is 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is NPFIXFSRMSEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O3S/c16-10-5-3-9(4-6-10)13-19-20(15(21)23-13)8-12-17-18-14(22-12)11-2-1-7-24-11/h1-7H,8H2.
What are the key properties of 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 344.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17451834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).