4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H15FN4O3 — CID 134228163

IUPAC4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NC(CO)c1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O3/c20-14-4-1-11(2-5-14)18(26)22-16(10-25)19-23-17(24-27-19)13-3-6-15-12(9-13)7-8-21-15/h1-9,16,21,25H,10H2,(H,22,26)
InChIKeyUXRKXYUINMDEJX-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.82
Rot. Bonds5

About 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 134228163) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID134228163
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NC(CO)c1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O3/c20-14-4-1-11(2-5-14)18(26)22-16(10-25)19-23-17(24-27-19)13-3-6-15-12(9-13)7-8-21-15/h1-9,16,21,25H,10H2,(H,22,26)
InChIKeyUXRKXYUINMDEJX-UHFFFAOYSA-N
XLogP2.82
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone
CID 44523980
US8785489, 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 136340997
5-(4-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162643919
5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162657871
5-(3-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162664288
N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 172449334
N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 177381808
2-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 163645544
2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methyl-acetamide
CID 507907
(3-{3-[(4-Benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-1H-indol-7-yl}-1,2,4-oxadiazol-5-yl)acetic acid
CID 507908
1-[7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507977
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]ethane-1,2-dione
CID 507978

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 134228163) is 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(NC(CO)c1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is UXRKXYUINMDEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-14-4-1-11(2-5-14)18(26)22-16(10-25)19-23-17(24-27-19)13-3-6-15-12(9-13)7-8-21-15/h1-9,16,21,25H,10H2,(H,22,26).
What are the key properties of 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 366.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 134228163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).