N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C19H23FN4O3 — CID 129341144

IUPACN-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@@H]2CCCN2CCCOc2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN4O3/c20-13-4-8-15(9-5-13)26-12-2-11-24-10-1-3-16(24)19-22-17(23-27-19)18(25)21-14-6-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2,(H,21,25)/t16-/m0/s1
InChIKeyRBALEWBJRAQMLD-INIZCTEOSA-N
MW374.42 g/mol
LogP2.71
Rot. Bonds8

About N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129341144) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129341144
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@@H]2CCCN2CCCOc2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN4O3/c20-13-4-8-15(9-5-13)26-12-2-11-24-10-1-3-16(24)19-22-17(23-27-19)18(25)21-14-6-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2,(H,21,25)/t16-/m0/s1
InChIKeyRBALEWBJRAQMLD-INIZCTEOSA-N
XLogP2.71
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129007591
N-cyclopropyl-5-[(2S)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338909
N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344366
N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339660
N-cyclopropyl-5-[(2R)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341797
N-cyclopropyl-5-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129003726
N-cyclopropyl-5-[(2S)-1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342811
N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338292
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
N-cyclopropyl-5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336365
N-cyclopropyl-5-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129341144) is N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@@H]2CCCN2CCCOc2ccc(F)cc2)n1.
What is the InChIKey of N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RBALEWBJRAQMLD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-13-4-8-15(9-5-13)26-12-2-11-24-10-1-3-16(24)19-22-17(23-27-19)18(25)21-14-6-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129341144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).