N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

C13H7ClFN3O2S — CID 4085013

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccc(F)c1
InChIInChI=1S/C13H7ClFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19)
InChIKeyKNTAJAXUCCIXCP-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.84
Rot. Bonds3

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (PubChem CID 4085013) has the molecular formula C13H7ClFN3O2S and a molecular weight of 323.74 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
PubChem CID4085013
Molecular FormulaC13H7ClFN3O2S
Molecular Weight323.74 g/mol
Exact Mass322.99
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccc(F)c1
InChIInChI=1S/C13H7ClFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19)
InChIKeyKNTAJAXUCCIXCP-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide 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 N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (CID 4085013) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccc(F)c1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The InChIKey is KNTAJAXUCCIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide has a molecular weight of 323.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 4085013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).