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

C21H21FN4O2 — CID 53206200

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1-c1noc(C2CCCN2C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-5-2-3-6-17(14)19-24-20(28-25-19)18-7-4-12-26(18)21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,23,27)
InChIKeyHQCHISLHVFGYRD-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.23
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53206200) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53206200
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1-c1noc(C2CCCN2C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-5-2-3-6-17(14)19-24-20(28-25-19)18-7-4-12-26(18)21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,23,27)
InChIKeyHQCHISLHVFGYRD-UHFFFAOYSA-N
XLogP4.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.23
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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53206200) is N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is Cc1ccccc1-c1noc(C2CCCN2C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is HQCHISLHVFGYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-5-2-3-6-17(14)19-24-20(28-25-19)18-7-4-12-26(18)21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.23, 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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).