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

C19H12FN3O2S — CID 39867064

IUPACN-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1cccs1
InChIInChI=1S/C19H12FN3O2S/c20-14-7-3-12(4-8-14)17-22-19(25-23-17)13-5-9-15(10-6-13)21-18(24)16-2-1-11-26-16/h1-11H,(H,21,24)
InChIKeyOWRKIWRVFRZMDP-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.86
Rot. Bonds4

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

N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 39867064) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID39867064
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC NameN-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1cccs1
InChIInChI=1S/C19H12FN3O2S/c20-14-7-3-12(4-8-14)17-22-19(25-23-17)13-5-9-15(10-6-13)21-18(24)16-2-1-11-26-16/h1-11H,(H,21,24)
InChIKeyOWRKIWRVFRZMDP-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide (CID 39867064) is N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1cccs1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is OWRKIWRVFRZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-14-7-3-12(4-8-14)17-22-19(25-23-17)13-5-9-15(10-6-13)21-18(24)16-2-1-11-26-16/h1-11H,(H,21,24).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 39867064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).