6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide

C27H28F3N3O3 — CID 162668513

IUPAC6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide
SMILESCc1noc(C)c1-c1ccc2c(c1)c(Cc1cccc(C(F)(F)F)c1)cn2CCCCCC(=O)NO
InChIInChI=1S/C27H28F3N3O3/c1-17-26(18(2)36-32-17)20-10-11-24-23(15-20)21(13-19-7-6-8-22(14-19)27(28,29)30)16-33(24)12-5-3-4-9-25(34)31-35/h6-8,10-11,14-16,35H,3-5,9,12-13H2,1-2H3,(H,31,34)
InChIKeySMIZIRYSABRXPT-UHFFFAOYSA-N
MW499.53 g/mol
LogP6.59
Rot. Bonds9

About 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide (PubChem CID 162668513) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide
PubChem CID162668513
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide
SMILESCc1noc(C)c1-c1ccc2c(c1)c(Cc1cccc(C(F)(F)F)c1)cn2CCCCCC(=O)NO
InChIInChI=1S/C27H28F3N3O3/c1-17-26(18(2)36-32-17)20-10-11-24-23(15-20)21(13-19-7-6-8-22(14-19)27(28,29)30)16-33(24)12-5-3-4-9-25(34)31-35/h6-8,10-11,14-16,35H,3-5,9,12-13H2,1-2H3,(H,31,34)
InChIKeySMIZIRYSABRXPT-UHFFFAOYSA-N
XLogP6.59
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 56.59
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-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide (CID 162668513) is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide is Cc1noc(C)c1-c1ccc2c(c1)c(Cc1cccc(C(F)(F)F)c1)cn2CCCCCC(=O)NO.
What is the InChIKey of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide?
The InChIKey is SMIZIRYSABRXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3/c1-17-26(18(2)36-32-17)20-10-11-24-23(15-20)21(13-19-7-6-8-22(14-19)27(28,29)30)16-33(24)12-5-3-4-9-25(34)31-35/h6-8,10-11,14-16,35H,3-5,9,12-13H2,1-2H3,(H,31,34).
What are the key properties of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide?
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide has a molecular weight of 499.53 g/mol, XLogP of 6.59, 9 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-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 162668513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).