5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C13H7ClFN3O2S — CID 4626473

IUPAC5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C13H7ClFN3O2S/c14-10-6-5-9(21-10)11(19)16-13-18-17-12(20-13)7-1-3-8(15)4-2-7/h1-6H,(H,16,18,19)
InChIKeyMMTUNVQFGGDXBS-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 4626473) has the molecular formula C13H7ClFN3O2S and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID4626473
Molecular FormulaC13H7ClFN3O2S
Molecular Weight323.74 g/mol
Exact Mass322.99
IUPAC Name5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C13H7ClFN3O2S/c14-10-6-5-9(21-10)11(19)16-13-18-17-12(20-13)7-1-3-8(15)4-2-7/h1-6H,(H,16,18,19)
InChIKeyMMTUNVQFGGDXBS-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 4626473) is 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MMTUNVQFGGDXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2S/c14-10-6-5-9(21-10)11(19)16-13-18-17-12(20-13)7-1-3-8(15)4-2-7/h1-6H,(H,16,18,19).
What are the key properties of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide 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 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4626473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).