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

C20H19FN4O2 — CID 53039368

IUPACN-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)13-22-20(26)25-12-4-7-17(25)19-23-18(24-27-19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,26)
InChIKeyJHLJMKSBEGJKAP-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.92
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 53039368) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID53039368
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)13-22-20(26)25-12-4-7-17(25)19-23-18(24-27-19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,26)
InChIKeyJHLJMKSBEGJKAP-UHFFFAOYSA-N
XLogP3.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 53039368) is N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JHLJMKSBEGJKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)13-22-20(26)25-12-4-7-17(25)19-23-18(24-27-19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).