2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide

C24H25N5O6 — CID 166426466

IUPAC2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)c4cnc(C5CC5)o4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H25N5O6/c30-18-9-8-16(20(31)28-18)29-23(33)14-4-3-5-15(19(14)24(29)34)25-10-1-2-11-26-21(32)17-12-27-22(35-17)13-6-7-13/h3-5,12-13,16,25H,1-2,6-11H2,(H,26,32)(H,28,30,31)
InChIKeyOOHGXMJEPRGRTF-UHFFFAOYSA-N
MW479.49 g/mol
LogP1.58
Rot. Bonds9

About 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide

2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide (PubChem CID 166426466) has the molecular formula C24H25N5O6 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide
PubChem CID166426466
Molecular FormulaC24H25N5O6
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)c4cnc(C5CC5)o4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H25N5O6/c30-18-9-8-16(20(31)28-18)29-23(33)14-4-3-5-15(19(14)24(29)34)25-10-1-2-11-26-21(32)17-12-27-22(35-17)13-6-7-13/h3-5,12-13,16,25H,1-2,6-11H2,(H,26,32)(H,28,30,31)
InChIKeyOOHGXMJEPRGRTF-UHFFFAOYSA-N
XLogP1.58
TPSA150.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide 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

10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 162648525
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
3-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propoxy]propylcarbamic acid
CID 166772051
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
CID 166427148
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-pyridin-4-ylurea
CID 166427163
2-(azepan-1-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]acetamide
CID 166426463
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(thiadiazol-5-yl)urea
CID 166427137

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide (CID 166426466) is 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)c4cnc(C5CC5)o4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide?
The InChIKey is OOHGXMJEPRGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O6/c30-18-9-8-16(20(31)28-18)29-23(33)14-4-3-5-15(19(14)24(29)34)25-10-1-2-11-26-21(32)17-12-27-22(35-17)13-6-7-13/h3-5,12-13,16,25H,1-2,6-11H2,(H,26,32)(H,28,30,31).
What are the key properties of 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide?
2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166426466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).