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

C19H14F2N4O3 — CID 122581909

IUPAC4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(-c2ccc3[nH]cc(F)c3c2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4O3/c20-12-4-1-10(2-5-12)18(27)23-16(9-26)19-24-17(25-28-19)11-3-6-15-13(7-11)14(21)8-22-15/h1-8,16,22,26H,9H2,(H,23,27)/t16-/m0/s1
InChIKeyQSYLPIZZGSOIQW-INIZCTEOSA-N
MW384.34 g/mol
LogP2.96
Rot. Bonds5

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

4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide (PubChem CID 122581909) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
PubChem CID122581909
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(-c2ccc3[nH]cc(F)c3c2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4O3/c20-12-4-1-10(2-5-12)18(27)23-16(9-26)19-24-17(25-28-19)11-3-6-15-13(7-11)14(21)8-22-15/h1-8,16,22,26H,9H2,(H,23,27)/t16-/m0/s1
InChIKeyQSYLPIZZGSOIQW-INIZCTEOSA-N
XLogP2.96
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide (CID 122581909) is 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide is O=C(N[C@@H](CO)c1nc(-c2ccc3[nH]cc(F)c3c2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide?
The InChIKey is QSYLPIZZGSOIQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-12-4-1-10(2-5-12)18(27)23-16(9-26)19-24-17(25-28-19)11-3-6-15-13(7-11)14(21)8-22-15/h1-8,16,22,26H,9H2,(H,23,27)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide?
4-fluoro-N-[(1S)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide has a molecular weight of 384.34 g/mol, XLogP of 2.96, 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)-1-[3-(3-fluoro-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 122581909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).