1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole

C18H23ClN4O3 — CID 178170559

IUPAC1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.Cc1ncon1
InChIInChI=1S/C15H19ClN2O2.C3H4N2O/c1-11(19)18-9-7-13(10-18)15(20)17-8-6-12-2-4-14(16)5-3-12;1-3-4-2-6-5-3/h2-5,13H,6-10H2,1H3,(H,17,20);2H,1H3
InChIKeyJPFAVKYAAXJHSB-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.25
Rot. Bonds4

About 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole

1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole (PubChem CID 178170559) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
PubChem CID178170559
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.Cc1ncon1
InChIInChI=1S/C15H19ClN2O2.C3H4N2O/c1-11(19)18-9-7-13(10-18)15(20)17-8-6-12-2-4-14(16)5-3-12;1-3-4-2-6-5-3/h2-5,13H,6-10H2,1H3,(H,17,20);2H,1H3
InChIKeyJPFAVKYAAXJHSB-UHFFFAOYSA-N
XLogP2.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110246546
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110246471
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole?
The IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole (CID 178170559) is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole is CC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.Cc1ncon1.
What is the InChIKey of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole?
The InChIKey is JPFAVKYAAXJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.C3H4N2O/c1-11(19)18-9-7-13(10-18)15(20)17-8-6-12-2-4-14(16)5-3-12;1-3-4-2-6-5-3/h2-5,13H,6-10H2,1H3,(H,17,20);2H,1H3.
What are the key properties of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole?
1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole has a molecular weight of 378.86 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 178170559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).