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

C19H15FN4O3 — CID 122581597

IUPAC4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](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)/t16-/m0/s1
InChIKeyUXRKXYUINMDEJX-INIZCTEOSA-N
MW366.35 g/mol
LogP2.82
Rot. Bonds5

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

4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 122581597) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID122581597
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](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)/t16-/m0/s1
InChIKeyUXRKXYUINMDEJX-INIZCTEOSA-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

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 122581597) is 4-fluoro-N-[(1S)-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-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(N[C@@H](CO)c1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is UXRKXYUINMDEJX-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-fluoro-N-[(1S)-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-[(1S)-2-hydroxy-1-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 122581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).