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

C24H23ClN4O4 — CID 5308040

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H23ClN4O4/c1-15(2)29(14-20-26-22(27-33-20)16-9-11-17(25)12-10-16)21(30)8-5-13-28-23(31)18-6-3-4-7-19(18)24(28)32/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3
InChIKeyROWWNDRRIMYREO-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.20
Rot. Bonds8

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide (PubChem CID 5308040) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide
PubChem CID5308040
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H23ClN4O4/c1-15(2)29(14-20-26-22(27-33-20)16-9-11-17(25)12-10-16)21(30)8-5-13-28-23(31)18-6-3-4-7-19(18)24(28)32/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3
InChIKeyROWWNDRRIMYREO-UHFFFAOYSA-N
XLogP4.20
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 6485217
2-[4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 55488822
N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 6625539
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 1243431
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-propan-2-ylbenzamide
CID 2990719
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylbutanamide
CID 8875205
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
CID 134213043
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-phenylphenoxy)-N-propan-2-ylacetamide
CID 71663676

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide (CID 5308040) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide is CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide?
The InChIKey is ROWWNDRRIMYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-15(2)29(14-20-26-22(27-33-20)16-9-11-17(25)12-10-16)21(30)8-5-13-28-23(31)18-6-3-4-7-19(18)24(28)32/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide has a molecular weight of 466.93 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 5308040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).