N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

C22H26N4O4 — CID 86974143

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1
InChIInChI=1S/C22H26N4O4/c1-22(2,3)21-24-17(25-30-21)12-23-18(27)13-9-10-15-16(11-13)20(29)26(19(15)28)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,23,27)
InChIKeyNKWZYDRFJGXDRY-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 86974143) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID86974143
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1
InChIInChI=1S/C22H26N4O4/c1-22(2,3)21-24-17(25-30-21)12-23-18(27)13-9-10-15-16(11-13)20(29)26(19(15)28)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,23,27)
InChIKeyNKWZYDRFJGXDRY-UHFFFAOYSA-N
XLogP3.23
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 86974047
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(1-amino-2-methylpropan-2-yl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119522353
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (CID 86974143) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is CC(C)(C)c1nc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NKWZYDRFJGXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(2,3)21-24-17(25-30-21)12-23-18(27)13-9-10-15-16(11-13)20(29)26(19(15)28)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,23,27).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 86974143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).