9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide

C32H33N5O4 — CID 78426406

IUPAC9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)NCCN4CCOCC4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H33N5O4/c1-20-29(21(2)41-35-20)24-17-26(31(33)38)30-25-16-23(32(39)34-10-11-36-12-14-40-15-13-36)8-9-27(25)37(28(30)18-24)19-22-6-4-3-5-7-22/h3-9,16-18H,10-15,19H2,1-2H3,(H2,33,38)(H,34,39)
InChIKeyWCVRHBOCNJPQKI-UHFFFAOYSA-N
MW551.65 g/mol
LogP4.28
Rot. Bonds8

About 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide

9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide (PubChem CID 78426406) has the molecular formula C32H33N5O4 and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide.

Molecular Properties

Compound Name9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide
PubChem CID78426406
Molecular FormulaC32H33N5O4
Molecular Weight551.65 g/mol
Exact Mass551.25
IUPAC Name9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)NCCN4CCOCC4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H33N5O4/c1-20-29(21(2)41-35-20)24-17-26(31(33)38)30-25-16-23(32(39)34-10-11-36-12-14-40-15-13-36)8-9-27(25)37(28(30)18-24)19-22-6-4-3-5-7-22/h3-9,16-18H,10-15,19H2,1-2H3,(H2,33,38)(H,34,39)
InChIKeyWCVRHBOCNJPQKI-UHFFFAOYSA-N
XLogP4.28
TPSA115.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.65
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide?
The IUPAC name of 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide (CID 78426406) is 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide.
What is the SMILES notation for 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide?
The canonical SMILES for 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)NCCN4CCOCC4)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide?
The InChIKey is WCVRHBOCNJPQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O4/c1-20-29(21(2)41-35-20)24-17-26(31(33)38)30-25-16-23(32(39)34-10-11-36-12-14-40-15-13-36)8-9-27(25)37(28(30)18-24)19-22-6-4-3-5-7-22/h3-9,16-18H,10-15,19H2,1-2H3,(H2,33,38)(H,34,39).
What are the key properties of 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide?
9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide has a molecular weight of 551.65 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide is sourced from PubChem (CID 78426406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).