N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

C17H14FN3O3 — CID 111108380

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H14FN3O3/c18-14-7-5-11(6-8-14)15(22)9-19-17(23)13-3-1-12(2-4-13)16-20-10-24-21-16/h1-8,10,15,22H,9H2,(H,19,23)
InChIKeyYXZLNASALBXBSI-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 111108380) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID111108380
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H14FN3O3/c18-14-7-5-11(6-8-14)15(22)9-19-17(23)13-3-1-12(2-4-13)16-20-10-24-21-16/h1-8,10,15,22H,9H2,(H,19,23)
InChIKeyYXZLNASALBXBSI-UHFFFAOYSA-N
XLogP2.34
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 111108380) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is O=C(NCC(O)c1ccc(F)cc1)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is YXZLNASALBXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-14-7-5-11(6-8-14)15(22)9-19-17(23)13-3-1-12(2-4-13)16-20-10-24-21-16/h1-8,10,15,22H,9H2,(H,19,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 327.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 111108380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).