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

C25H25ClN4O4 — CID 24981755

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1=O
InChIInChI=1S/C25H25ClN4O4/c1-2-33-21-10-6-5-9-20(21)30-14-16(13-23(30)31)25(32)29(17-11-12-17)15-22-27-28-24(34-22)18-7-3-4-8-19(18)26/h3-10,16-17H,2,11-15H2,1H3
InChIKeyDIJINFBLUJGRTP-UHFFFAOYSA-N
MW480.95 g/mol
LogP4.33
Rot. Bonds8

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24981755) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24981755
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1=O
InChIInChI=1S/C25H25ClN4O4/c1-2-33-21-10-6-5-9-20(21)30-14-16(13-23(30)31)25(32)29(17-11-12-17)15-22-27-28-24(34-22)18-7-3-4-8-19(18)26/h3-10,16-17H,2,11-15H2,1H3
InChIKeyDIJINFBLUJGRTP-UHFFFAOYSA-N
XLogP4.33
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 24981755) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1=O.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DIJINFBLUJGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-2-33-21-10-6-5-9-20(21)30-14-16(13-23(30)31)25(32)29(17-11-12-17)15-22-27-28-24(34-22)18-7-3-4-8-19(18)26/h3-10,16-17H,2,11-15H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 480.95 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24981755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).