4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide

C24H24N4O4 — CID 1252430

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H24N4O4/c1-16(2)28(15-20-25-22(26-32-20)17-9-4-3-5-10-17)21(29)13-8-14-27-23(30)18-11-6-7-12-19(18)24(27)31/h3-7,9-12,16H,8,13-15H2,1-2H3
InChIKeyBIJZSHVKXMEUPR-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.55
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 1252430) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID1252430
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H24N4O4/c1-16(2)28(15-20-25-22(26-32-20)17-9-4-3-5-10-17)21(29)13-8-14-27-23(30)18-11-6-7-12-19(18)24(27)31/h3-7,9-12,16H,8,13-15H2,1-2H3
InChIKeyBIJZSHVKXMEUPR-UHFFFAOYSA-N
XLogP3.55
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide (CID 1252430) is 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is BIJZSHVKXMEUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16(2)28(15-20-25-22(26-32-20)17-9-4-3-5-10-17)21(29)13-8-14-27-23(30)18-11-6-7-12-19(18)24(27)31/h3-7,9-12,16H,8,13-15H2,1-2H3.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 432.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 1252430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).