N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

C17H15FN4O4S — CID 5303695

IUPACN-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(COc1ccc(F)cc1)NCCNC(=O)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H15FN4O4S/c18-11-3-5-12(6-4-11)25-10-14(23)19-7-8-20-16(24)17-21-15(22-26-17)13-2-1-9-27-13/h1-6,9H,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyDSBPFIORJYJUDE-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.86
Rot. Bonds8

About N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5303695) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID5303695
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC NameN-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(COc1ccc(F)cc1)NCCNC(=O)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H15FN4O4S/c18-11-3-5-12(6-4-11)25-10-14(23)19-7-8-20-16(24)17-21-15(22-26-17)13-2-1-9-27-13/h1-6,9H,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyDSBPFIORJYJUDE-UHFFFAOYSA-N
XLogP1.86
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 5303695) is N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is O=C(COc1ccc(F)cc1)NCCNC(=O)c1nc(-c2cccs2)no1.
What is the InChIKey of N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DSBPFIORJYJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c18-11-3-5-12(6-4-11)25-10-14(23)19-7-8-20-16(24)17-21-15(22-26-17)13-2-1-9-27-13/h1-6,9H,7-8,10H2,(H,19,23)(H,20,24).
What are the key properties of N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5303695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).