N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide

C24H25N3O5 — CID 127051228

IUPACN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide
SMILESCc1noc(C)c1-c1cc(NC(=O)CCCCC(=O)NO)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O5/c1-15-23(16(2)32-27-15)18-12-19(24(30)17-8-4-3-5-9-17)14-20(13-18)25-21(28)10-6-7-11-22(29)26-31/h3-5,8-9,12-14,31H,6-7,10-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMXLBPUFZTKWCKX-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.19
Rot. Bonds9

About N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide

N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide (PubChem CID 127051228) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide
PubChem CID127051228
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide
SMILESCc1noc(C)c1-c1cc(NC(=O)CCCCC(=O)NO)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O5/c1-15-23(16(2)32-27-15)18-12-19(24(30)17-8-4-3-5-9-17)14-20(13-18)25-21(28)10-6-7-11-22(29)26-31/h3-5,8-9,12-14,31H,6-7,10-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMXLBPUFZTKWCKX-UHFFFAOYSA-N
XLogP4.19
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide?
The IUPAC name of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide (CID 127051228) is N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide is Cc1noc(C)c1-c1cc(NC(=O)CCCCC(=O)NO)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide?
The InChIKey is MXLBPUFZTKWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-15-23(16(2)32-27-15)18-12-19(24(30)17-8-4-3-5-9-17)14-20(13-18)25-21(28)10-6-7-11-22(29)26-31/h3-5,8-9,12-14,31H,6-7,10-11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide?
N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide has a molecular weight of 435.48 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyhexanediamide is sourced from PubChem (CID 127051228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).