N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

C17H21FN4O4 — CID 91909855

IUPACN-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C17H21FN4O4/c1-24-9-10-25-11-15-20-16(21-26-15)14-7-4-8-22(14)17(23)19-13-6-3-2-5-12(13)18/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,23)
InChIKeyCTXZIMCBTZOLHP-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.74
Rot. Bonds7

About N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91909855) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91909855
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC NameN-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C17H21FN4O4/c1-24-9-10-25-11-15-20-16(21-26-15)14-7-4-8-22(14)17(23)19-13-6-3-2-5-12(13)18/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,23)
InChIKeyCTXZIMCBTZOLHP-UHFFFAOYSA-N
XLogP2.74
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91909855) is N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is COCCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1.
What is the InChIKey of N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is CTXZIMCBTZOLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-24-9-10-25-11-15-20-16(21-26-15)14-7-4-8-22(14)17(23)19-13-6-3-2-5-12(13)18/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,23).
What are the key properties of N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91909855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).