9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide

C32H32N4O3 — CID 78426404

IUPAC9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCCC4C)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H32N4O3/c1-19-9-7-8-14-35(19)32(38)23-12-13-27-25(15-23)30-26(31(33)37)16-24(29-20(2)34-39-21(29)3)17-28(30)36(27)18-22-10-5-4-6-11-22/h4-6,10-13,15-17,19H,7-9,14,18H2,1-3H3,(H2,33,37)
InChIKeyVDGBZAUCONLKDW-UHFFFAOYSA-N
MW520.63 g/mol
LogP6.23
Rot. Bonds5

About 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide (PubChem CID 78426404) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide
PubChem CID78426404
Molecular FormulaC32H32N4O3
Molecular Weight520.63 g/mol
Exact Mass520.25
IUPAC Name9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCCC4C)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H32N4O3/c1-19-9-7-8-14-35(19)32(38)23-12-13-27-25(15-23)30-26(31(33)37)16-24(29-20(2)34-39-21(29)3)17-28(30)36(27)18-22-10-5-4-6-11-22/h4-6,10-13,15-17,19H,7-9,14,18H2,1-3H3,(H2,33,37)
InChIKeyVDGBZAUCONLKDW-UHFFFAOYSA-N
XLogP6.23
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-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 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The IUPAC name of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide (CID 78426404) is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The canonical SMILES for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCCC4C)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The InChIKey is VDGBZAUCONLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-19-9-7-8-14-35(19)32(38)23-12-13-27-25(15-23)30-26(31(33)37)16-24(29-20(2)34-39-21(29)3)17-28(30)36(27)18-22-10-5-4-6-11-22/h4-6,10-13,15-17,19H,7-9,14,18H2,1-3H3,(H2,33,37).
What are the key properties of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide?
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(2-methylpiperidine-1-carbonyl)carbazole-4-carboxamide is sourced from PubChem (CID 78426404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).