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

C20H18F2N4O2 — CID 53039378

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C20H18F2N4O2/c21-15-8-6-13(7-9-15)12-23-20(27)26-10-2-5-17(26)19-24-18(25-28-19)14-3-1-4-16(22)11-14/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,23,27)
InChIKeyMQHFTEBOHPMAHB-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.06
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039378) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039378
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C20H18F2N4O2/c21-15-8-6-13(7-9-15)12-23-20(27)26-10-2-5-17(26)19-24-18(25-28-19)14-3-1-4-16(22)11-14/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,23,27)
InChIKeyMQHFTEBOHPMAHB-UHFFFAOYSA-N
XLogP4.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.06
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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039378) is N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is MQHFTEBOHPMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-15-8-6-13(7-9-15)12-23-20(27)26-10-2-5-17(26)19-24-18(25-28-19)14-3-1-4-16(22)11-14/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 4.06, 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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).