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

C33H34N4O3 — CID 78426403

IUPAC9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCC(C)(C)C4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C33H34N4O3/c1-20-29(21(2)40-35-20)24-16-26(31(34)38)30-25-15-23(32(39)36-14-8-13-33(3,4)19-36)11-12-27(25)37(28(30)17-24)18-22-9-6-5-7-10-22/h5-7,9-12,15-17H,8,13-14,18-19H2,1-4H3,(H2,34,38)
InChIKeyZJBONGFPCPJVNN-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.48
Rot. Bonds5

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

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide (PubChem CID 78426403) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide
PubChem CID78426403
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCC(C)(C)C4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C33H34N4O3/c1-20-29(21(2)40-35-20)24-16-26(31(34)38)30-25-15-23(32(39)36-14-8-13-33(3,4)19-36)11-12-27(25)37(28(30)17-24)18-22-9-6-5-7-10-22/h5-7,9-12,15-17H,8,13-14,18-19H2,1-4H3,(H2,34,38)
InChIKeyZJBONGFPCPJVNN-UHFFFAOYSA-N
XLogP6.48
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The IUPAC name of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide (CID 78426403) is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The canonical SMILES for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4CCCC(C)(C)C4)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide?
The InChIKey is ZJBONGFPCPJVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-20-29(21(2)40-35-20)24-16-26(31(34)38)30-25-15-23(32(39)36-14-8-13-33(3,4)19-36)11-12-27(25)37(28(30)17-24)18-22-9-6-5-7-10-22/h5-7,9-12,15-17H,8,13-14,18-19H2,1-4H3,(H2,34,38).
What are the key properties of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide?
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 6.48, 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-(3,3-dimethylpiperidine-1-carbonyl)carbazole-4-carboxamide is sourced from PubChem (CID 78426403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).