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

C29H28N4O4 — CID 50844038

IUPAC1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(OCc4nnc(-c5ccccc5C)o4)cc3)CC2=O)cc1C
InChIInChI=1S/C29H28N4O4/c1-18-8-11-23(14-20(18)3)33-16-21(15-27(33)34)28(35)30-22-9-12-24(13-10-22)36-17-26-31-32-29(37-26)25-7-5-4-6-19(25)2/h4-14,21H,15-17H2,1-3H3,(H,30,35)
InChIKeyDSEWUGYJWGMYHR-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.23
Rot. Bonds7

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

1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50844038) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50844038
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(OCc4nnc(-c5ccccc5C)o4)cc3)CC2=O)cc1C
InChIInChI=1S/C29H28N4O4/c1-18-8-11-23(14-20(18)3)33-16-21(15-27(33)34)28(35)30-22-9-12-24(13-10-22)36-17-26-31-32-29(37-26)25-7-5-4-6-19(25)2/h4-14,21H,15-17H2,1-3H3,(H,30,35)
InChIKeyDSEWUGYJWGMYHR-UHFFFAOYSA-N
XLogP5.23
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3R)-1-(4-methoxyphenyl)-N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92899994
1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080898
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 9393411
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122306659
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41032268
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50844038) is 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(OCc4nnc(-c5ccccc5C)o4)cc3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DSEWUGYJWGMYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-18-8-11-23(14-20(18)3)33-16-21(15-27(33)34)28(35)30-22-9-12-24(13-10-22)36-17-26-31-32-29(37-26)25-7-5-4-6-19(25)2/h4-14,21H,15-17H2,1-3H3,(H,30,35).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50844038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).