1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C23H20ClN5O5 — CID 42905775

IUPAC1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)CN1c1ccccc1Cl
InChIInChI=1S/C23H20ClN5O5/c24-18-6-1-2-7-19(18)28-12-15(11-21(28)30)23(31)27(16-8-9-16)13-20-25-26-22(34-20)14-4-3-5-17(10-14)29(32)33/h1-7,10,15-16H,8-9,11-13H2
InChIKeyQBLBCEROMPBZPH-UHFFFAOYSA-N
MW481.90 g/mol
LogP3.84
Rot. Bonds7

About 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42905775) has the molecular formula C23H20ClN5O5 and a molecular weight of 481.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42905775
Molecular FormulaC23H20ClN5O5
Molecular Weight481.90 g/mol
Exact Mass481.12
IUPAC Name1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)CN1c1ccccc1Cl
InChIInChI=1S/C23H20ClN5O5/c24-18-6-1-2-7-19(18)28-12-15(11-21(28)30)23(31)27(16-8-9-16)13-20-25-26-22(34-20)14-4-3-5-17(10-14)29(32)33/h1-7,10,15-16H,8-9,11-13H2
InChIKeyQBLBCEROMPBZPH-UHFFFAOYSA-N
XLogP3.84
TPSA122.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 42905775) is 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)CN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QBLBCEROMPBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O5/c24-18-6-1-2-7-19(18)28-12-15(11-21(28)30)23(31)27(16-8-9-16)13-20-25-26-22(34-20)14-4-3-5-17(10-14)29(32)33/h1-7,10,15-16H,8-9,11-13H2.
What are the key properties of 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 481.90 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42905775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).