2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C26H21FN4O2 — CID 90281308

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H21FN4O2/c27-20-11-12-22-21(15-20)19(16-28-22)14-24(32)29-23(13-17-7-3-1-4-8-17)26-30-25(31-33-26)18-9-5-2-6-10-18/h1-12,15-16,23,28H,13-14H2,(H,29,32)/t23-/m0/s1
InChIKeyLUVPLEJHIFWGRA-QHCPKHFHSA-N
MW440.48 g/mol
LogP5.00
Rot. Bonds7

About 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 90281308) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID90281308
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H21FN4O2/c27-20-11-12-22-21(15-20)19(16-28-22)14-24(32)29-23(13-17-7-3-1-4-8-17)26-30-25(31-33-26)18-9-5-2-6-10-18/h1-12,15-16,23,28H,13-14H2,(H,29,32)/t23-/m0/s1
InChIKeyLUVPLEJHIFWGRA-QHCPKHFHSA-N
XLogP5.00
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 90281308) is 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is LUVPLEJHIFWGRA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H21FN4O2/c27-20-11-12-22-21(15-20)19(16-28-22)14-24(32)29-23(13-17-7-3-1-4-8-17)26-30-25(31-33-26)18-9-5-2-6-10-18/h1-12,15-16,23,28H,13-14H2,(H,29,32)/t23-/m0/s1.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 440.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 90281308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).