4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide

C24H24ClN5O4 — CID 154833714

IUPAC4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H24ClN5O4/c1-24(21(31)28-22(32)29-24)16-4-2-3-14(11-16)13-26-23(33)30-9-7-15(8-10-30)20-27-18-12-17(25)5-6-19(18)34-20/h2-6,11-12,15H,7-10,13H2,1H3,(H,26,33)(H2,28,29,31,32)
InChIKeyCKTSXRDDVNHTGB-UHFFFAOYSA-N
MW481.94 g/mol
LogP3.62
Rot. Bonds4

About 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide

4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 154833714) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID154833714
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H24ClN5O4/c1-24(21(31)28-22(32)29-24)16-4-2-3-14(11-16)13-26-23(33)30-9-7-15(8-10-30)20-27-18-12-17(25)5-6-19(18)34-20/h2-6,11-12,15H,7-10,13H2,1H3,(H,26,33)(H2,28,29,31,32)
InChIKeyCKTSXRDDVNHTGB-UHFFFAOYSA-N
XLogP3.62
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (CID 154833714) is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is CC1(c2cccc(CNC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)NC(=O)NC1=O.
What is the InChIKey of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is CKTSXRDDVNHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c1-24(21(31)28-22(32)29-24)16-4-2-3-14(11-16)13-26-23(33)30-9-7-15(8-10-30)20-27-18-12-17(25)5-6-19(18)34-20/h2-6,11-12,15H,7-10,13H2,1H3,(H,26,33)(H2,28,29,31,32).
What are the key properties of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154833714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).