N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide

C21H13FN4O2S — CID 53163778

IUPACN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cccc2[nH]ccc12
InChIInChI=1S/C21H13FN4O2S/c22-13-6-4-12(5-7-13)19-25-21(28-26-19)18-17(9-11-29-18)24-20(27)15-2-1-3-16-14(15)8-10-23-16/h1-11,23H,(H,24,27)
InChIKeyQKGVOGFDDBMMCD-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.34
Rot. Bonds4

About N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide (PubChem CID 53163778) has the molecular formula C21H13FN4O2S and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide
PubChem CID53163778
Molecular FormulaC21H13FN4O2S
Molecular Weight404.43 g/mol
Exact Mass404.07
IUPAC NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cccc2[nH]ccc12
InChIInChI=1S/C21H13FN4O2S/c22-13-6-4-12(5-7-13)19-25-21(28-26-19)18-17(9-11-29-18)24-20(27)15-2-1-3-16-14(15)8-10-23-16/h1-11,23H,(H,24,27)
InChIKeyQKGVOGFDDBMMCD-UHFFFAOYSA-N
XLogP5.34
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide (CID 53163778) is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide is O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide?
The InChIKey is QKGVOGFDDBMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O2S/c22-13-6-4-12(5-7-13)19-25-21(28-26-19)18-17(9-11-29-18)24-20(27)15-2-1-3-16-14(15)8-10-23-16/h1-11,23H,(H,24,27).
What are the key properties of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide?
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 53163778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).