N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C16H17FN4O3 — CID 25480501

IUPACN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN4O3/c1-10-15(20-24-19-10)16(23)18-13-8-14(22)21(9-13)7-6-11-2-4-12(17)5-3-11/h2-5,13H,6-9H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyDJZPULUUSIKEMX-CYBMUJFWSA-N
MW332.34 g/mol
LogP1.09
Rot. Bonds5

About N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 25480501) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID25480501
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN4O3/c1-10-15(20-24-19-10)16(23)18-13-8-14(22)21(9-13)7-6-11-2-4-12(17)5-3-11/h2-5,13H,6-9H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyDJZPULUUSIKEMX-CYBMUJFWSA-N
XLogP1.09
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 25480501) is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DJZPULUUSIKEMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-10-15(20-24-19-10)16(23)18-13-8-14(22)21(9-13)7-6-11-2-4-12(17)5-3-11/h2-5,13H,6-9H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 25480501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).