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

C30H30N4O2 — CID 90376549

IUPAC9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(NC4CCCC4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C30H30N4O2/c1-18-28(19(2)36-33-18)21-14-25(30(31)35)29-24-16-23(32-22-10-6-7-11-22)12-13-26(24)34(27(29)15-21)17-20-8-4-3-5-9-20/h3-5,8-9,12-16,22,32H,6-7,10-11,17H2,1-2H3,(H2,31,35)
InChIKeyIVYXFCGSQAJMSS-UHFFFAOYSA-N
MW478.60 g/mol
LogP6.57
Rot. Bonds6

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

9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (PubChem CID 90376549) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
PubChem CID90376549
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3cc(NC4CCCC4)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C30H30N4O2/c1-18-28(19(2)36-33-18)21-14-25(30(31)35)29-24-16-23(32-22-10-6-7-11-22)12-13-26(24)34(27(29)15-21)17-20-8-4-3-5-9-20/h3-5,8-9,12-16,22,32H,6-7,10-11,17H2,1-2H3,(H2,31,35)
InChIKeyIVYXFCGSQAJMSS-UHFFFAOYSA-N
XLogP6.57
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 56.57
H-Bond Donors ≤ 52
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-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The IUPAC name of 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (CID 90376549) is 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(NC4CCCC4)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
The InChIKey is IVYXFCGSQAJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-18-28(19(2)36-33-18)21-14-25(30(31)35)29-24-16-23(32-22-10-6-7-11-22)12-13-26(24)34(27(29)15-21)17-20-8-4-3-5-9-20/h3-5,8-9,12-16,22,32H,6-7,10-11,17H2,1-2H3,(H2,31,35).
What are the key properties of 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?
9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(cyclopentylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is sourced from PubChem (CID 90376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).