N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C26H27ClN4O3 — CID 55557051

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)CC2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-16(2)18-4-3-5-22(12-18)30-14-19(13-24(30)32)26(33)31(21-10-11-21)15-23-28-29-25(34-23)17-6-8-20(27)9-7-17/h3-9,12,16,19,21H,10-11,13-15H2,1-2H3
InChIKeyDXYGCQAANMWVAR-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.06
Rot. Bonds7

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55557051) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55557051
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)CC2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-16(2)18-4-3-5-22(12-18)30-14-19(13-24(30)32)26(33)31(21-10-11-21)15-23-28-29-25(34-23)17-6-8-20(27)9-7-17/h3-9,12,16,19,21H,10-11,13-15H2,1-2H3
InChIKeyDXYGCQAANMWVAR-UHFFFAOYSA-N
XLogP5.06
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42905775
1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55577980
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(tetrazol-1-yl)benzamide
CID 55333069
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
(3R)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 25497951
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
(3R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97123529
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55498272
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55333116
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55557051) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N2CC(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)CC2=O)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DXYGCQAANMWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-16(2)18-4-3-5-22(12-18)30-14-19(13-24(30)32)26(33)31(21-10-11-21)15-23-28-29-25(34-23)17-6-8-20(27)9-7-17/h3-9,12,16,19,21H,10-11,13-15H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55557051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).