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

C24H26N4O3 — CID 46361390

IUPAC1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3C(=O)Nc3ccc(C(C)C)cc3)cc2)no1
InChIInChI=1S/C24H26N4O3/c1-15(2)17-10-12-20(13-11-17)26-23(29)21-5-4-14-28(21)24(30)19-8-6-18(7-9-19)22-25-16(3)31-27-22/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,29)
InChIKeyHZHOGSHDYIOPHH-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.41
Rot. Bonds5

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

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 46361390) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID46361390
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3C(=O)Nc3ccc(C(C)C)cc3)cc2)no1
InChIInChI=1S/C24H26N4O3/c1-15(2)17-10-12-20(13-11-17)26-23(29)21-5-4-14-28(21)24(30)19-8-6-18(7-9-19)22-25-16(3)31-27-22/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,29)
InChIKeyHZHOGSHDYIOPHH-UHFFFAOYSA-N
XLogP4.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 46361390) is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCCC3C(=O)Nc3ccc(C(C)C)cc3)cc2)no1.
What is the InChIKey of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HZHOGSHDYIOPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15(2)17-10-12-20(13-11-17)26-23(29)21-5-4-14-28(21)24(30)19-8-6-18(7-9-19)22-25-16(3)31-27-22/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,29).
What are the key properties of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46361390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).