6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide

C28H33N3O3 — CID 171356124

IUPAC6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
SMILESCc1ccccc1CCc1cn(CCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C28H33N3O3/c1-19-9-6-7-10-22(19)12-13-24-18-31(16-8-4-5-11-27(32)29-33)26-15-14-23(17-25(24)26)28-20(2)30-34-21(28)3/h6-7,9-10,14-15,17-18,33H,4-5,8,11-13,16H2,1-3H3,(H,29,32)
InChIKeyFSVKCBFELANYQU-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.07
Rot. Bonds10

About 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide (PubChem CID 171356124) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
PubChem CID171356124
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
SMILESCc1ccccc1CCc1cn(CCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C28H33N3O3/c1-19-9-6-7-10-22(19)12-13-24-18-31(16-8-4-5-11-27(32)29-33)26-15-14-23(17-25(24)26)28-20(2)30-34-21(28)3/h6-7,9-10,14-15,17-18,33H,4-5,8,11-13,16H2,1-3H3,(H,29,32)
InChIKeyFSVKCBFELANYQU-UHFFFAOYSA-N
XLogP6.07
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide (CID 171356124) is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide is Cc1ccccc1CCc1cn(CCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12.
What is the InChIKey of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide?
The InChIKey is FSVKCBFELANYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-19-9-6-7-10-22(19)12-13-24-18-31(16-8-4-5-11-27(32)29-33)26-15-14-23(17-25(24)26)28-20(2)30-34-21(28)3/h6-7,9-10,14-15,17-18,33H,4-5,8,11-13,16H2,1-3H3,(H,29,32).
What are the key properties of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide?
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide has a molecular weight of 459.59 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-methylphenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 171356124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).