N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

C18H23FN4O3 — CID 91920650

IUPACN,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O3/c1-3-22(4-2)18(24)23-11-5-6-15(23)17-20-16(26-21-17)12-25-14-9-7-13(19)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyCLMCMEVSNJVKAX-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.39
Rot. Bonds6

About N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91920650) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91920650
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC NameN,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O3/c1-3-22(4-2)18(24)23-11-5-6-15(23)17-20-16(26-21-17)12-25-14-9-7-13(19)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyCLMCMEVSNJVKAX-UHFFFAOYSA-N
XLogP3.39
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91920650) is N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is CCN(CC)C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1.
What is the InChIKey of N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is CLMCMEVSNJVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-3-22(4-2)18(24)23-11-5-6-15(23)17-20-16(26-21-17)12-25-14-9-7-13(19)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91920650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).