1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione

C16H17N3O3 — CID 17035023

IUPAC1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
SMILESCc1ccc(-c2nnc(CCCN3C(=O)CCC3=O)o2)cc1
InChIInChI=1S/C16H17N3O3/c1-11-4-6-12(7-5-11)16-18-17-13(22-16)3-2-10-19-14(20)8-9-15(19)21/h4-7H,2-3,8-10H2,1H3
InChIKeyYHTIKQKKUPEVQU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.13
Rot. Bonds5

About 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione

1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 17035023) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
PubChem CID17035023
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
SMILESCc1ccc(-c2nnc(CCCN3C(=O)CCC3=O)o2)cc1
InChIInChI=1S/C16H17N3O3/c1-11-4-6-12(7-5-11)16-18-17-13(22-16)3-2-10-19-14(20)8-9-15(19)21/h4-7H,2-3,8-10H2,1H3
InChIKeyYHTIKQKKUPEVQU-UHFFFAOYSA-N
XLogP2.13
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
[4-[5-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]boronic acid
CID 58343692
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
CID 46933653
2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 170211630
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8589930
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713
1-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35357741

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione (CID 17035023) is 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione is Cc1ccc(-c2nnc(CCCN3C(=O)CCC3=O)o2)cc1.
What is the InChIKey of 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is YHTIKQKKUPEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-4-6-12(7-5-11)16-18-17-13(22-16)3-2-10-19-14(20)8-9-15(19)21/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione?
1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 299.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 17035023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).