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

C16H19FN4O3 — CID 91920654

IUPAC2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C16H19FN4O3/c1-2-23-10-14-19-15(20-24-14)13-8-5-9-21(13)16(22)18-12-7-4-3-6-11(12)17/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,18,22)
InChIKeyPNISBFPLDWUXBJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.11
Rot. Bonds5

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

2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 91920654) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID91920654
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C16H19FN4O3/c1-2-23-10-14-19-15(20-24-14)13-8-5-9-21(13)16(22)18-12-7-4-3-6-11(12)17/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,18,22)
InChIKeyPNISBFPLDWUXBJ-UHFFFAOYSA-N
XLogP3.11
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (CID 91920654) is 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide is CCOCc1nc(C2CCCN2C(=O)Nc2ccccc2F)no1.
What is the InChIKey of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is PNISBFPLDWUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-2-23-10-14-19-15(20-24-14)13-8-5-9-21(13)16(22)18-12-7-4-3-6-11(12)17/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,18,22).
What are the key properties of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91920654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).