4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate

C23H24N4O6 — CID 176717914

IUPAC4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)OCc4onc5c4CCCC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O6/c28-20-8-7-18(21(29)25-20)27-11-14-6-5-13(9-16(14)22(27)30)10-24-23(31)32-12-19-15-3-1-2-4-17(15)26-33-19/h5-6,9,18H,1-4,7-8,10-12H2,(H,24,31)(H,25,28,29)
InChIKeyVARBPNREAXCAOR-UHFFFAOYSA-N
MW452.47 g/mol
LogP1.74
Rot. Bonds5

About 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate

4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate (PubChem CID 176717914) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
PubChem CID176717914
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC Name4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)OCc4onc5c4CCCC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O6/c28-20-8-7-18(21(29)25-20)27-11-14-6-5-13(9-16(14)22(27)30)10-24-23(31)32-12-19-15-3-1-2-4-17(15)26-33-19/h5-6,9,18H,1-4,7-8,10-12H2,(H,24,31)(H,25,28,29)
InChIKeyVARBPNREAXCAOR-UHFFFAOYSA-N
XLogP1.74
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzothiazol-2-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 176717831
(2,2-difluorocyclobutyl)methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 170268583
[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 167850420
[5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 176718096
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[(2-methoxyphenyl)methyl]carbamate
CID 164584006
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298
(3-methoxycyclobutyl) N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 175885219
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 164583864
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[2-(methylamino)prop-2-enyl]carbamate;methane
CID 164584062
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 166425784
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-methylphenyl)carbamate
CID 164584202

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?
The IUPAC name of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate (CID 176717914) is 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate.
What is the SMILES notation for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?
The canonical SMILES for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate is O=C1CCC(N2Cc3ccc(CNC(=O)OCc4onc5c4CCCC5)cc3C2=O)C(=O)N1.
What is the InChIKey of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?
The InChIKey is VARBPNREAXCAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c28-20-8-7-18(21(29)25-20)27-11-14-6-5-13(9-16(14)22(27)30)10-24-23(31)32-12-19-15-3-1-2-4-17(15)26-33-19/h5-6,9,18H,1-4,7-8,10-12H2,(H,24,31)(H,25,28,29).
What are the key properties of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?
4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate has a molecular weight of 452.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate is sourced from PubChem (CID 176717914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).