1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

C28H26N4O3 — CID 165117335

IUPAC1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3)CC2=O)cc1
InChIInChI=1S/C28H26N4O3/c1-18-3-7-20(8-4-18)16-32-17-23(15-25(32)33)27(34)29-24-13-11-22(12-14-24)28-30-26(31-35-28)21-9-5-19(2)6-10-21/h3-14,23H,15-17H2,1-2H3,(H,29,34)
InChIKeyUPASWMGKORPBGZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.01
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 165117335) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID165117335
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3)CC2=O)cc1
InChIInChI=1S/C28H26N4O3/c1-18-3-7-20(8-4-18)16-32-17-23(15-25(32)33)27(34)29-24-13-11-22(12-14-24)28-30-26(31-35-28)21-9-5-19(2)6-10-21/h3-14,23H,15-17H2,1-2H3,(H,29,34)
InChIKeyUPASWMGKORPBGZ-UHFFFAOYSA-N
XLogP5.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 165117335) is 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UPASWMGKORPBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-3-7-20(8-4-18)16-32-17-23(15-25(32)33)27(34)29-24-13-11-22(12-14-24)28-30-26(31-35-28)21-9-5-19(2)6-10-21/h3-14,23H,15-17H2,1-2H3,(H,29,34).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 165117335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).