9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide

C32H32N4O4 — CID 90375956

IUPAC9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H32N4O4/c1-18-15-35(16-19(2)39-18)32(38)23-10-11-27-25(12-23)30-26(31(33)37)13-24(29-20(3)34-40-21(29)4)14-28(30)36(27)17-22-8-6-5-7-9-22/h5-14,18-19H,15-17H2,1-4H3,(H2,33,37)/t18-,19+
InChIKeyVPFZDQAMRYSUKM-KDURUIRLSA-N
MW536.63 g/mol
LogP5.46
Rot. Bonds5

About 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide

9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (PubChem CID 90375956) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
PubChem CID90375956
Molecular FormulaC32H32N4O4
Molecular Weight536.63 g/mol
Exact Mass536.24
IUPAC Name9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H32N4O4/c1-18-15-35(16-19(2)39-18)32(38)23-10-11-27-25(12-23)30-26(31(33)37)13-24(29-20(3)34-40-21(29)4)14-28(30)36(27)17-22-8-6-5-7-9-22/h5-14,18-19H,15-17H2,1-4H3,(H2,33,37)/t18-,19+
InChIKeyVPFZDQAMRYSUKM-KDURUIRLSA-N
XLogP5.46
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The IUPAC name of 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (CID 90375956) is 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The InChIKey is VPFZDQAMRYSUKM-KDURUIRLSA-N. The full InChI is InChI=1S/C32H32N4O4/c1-18-15-35(16-19(2)39-18)32(38)23-10-11-27-25(12-23)30-26(31(33)37)13-24(29-20(3)34-40-21(29)4)14-28(30)36(27)17-22-8-6-5-7-9-22/h5-14,18-19H,15-17H2,1-4H3,(H2,33,37)/t18-,19+.
What are the key properties of 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide has a molecular weight of 536.63 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is sourced from PubChem (CID 90375956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).