9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide

C23H35N3O4S2 — CID 159945627

IUPAC9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide
SMILESCC(C)N(O)C(=O)CCCCCCC(=O)Cc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C23H35N3O4S2/c1-16(2)26(29)21(28)11-9-7-6-8-10-17(27)12-20-25-14-22(32-20)31-15-19-24-13-18(30-19)23(3,4)5/h13-14,16,29H,6-12,15H2,1-5H3
InChIKeyOBLHPIAOFADPFA-UHFFFAOYSA-N
MW481.68 g/mol
LogP5.80
Rot. Bonds13

About 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide

9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide (PubChem CID 159945627) has the molecular formula C23H35N3O4S2 and a molecular weight of 481.68 g/mol. Its IUPAC name is 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide.

Molecular Properties

Compound Name9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide
PubChem CID159945627
Molecular FormulaC23H35N3O4S2
Molecular Weight481.68 g/mol
Exact Mass481.21
IUPAC Name9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide
SMILESCC(C)N(O)C(=O)CCCCCCC(=O)Cc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C23H35N3O4S2/c1-16(2)26(29)21(28)11-9-7-6-8-10-17(27)12-20-25-14-22(32-20)31-15-19-24-13-18(30-19)23(3,4)5/h13-14,16,29H,6-12,15H2,1-5H3
InChIKeyOBLHPIAOFADPFA-UHFFFAOYSA-N
XLogP5.80
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide?
The IUPAC name of 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide (CID 159945627) is 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide.
What is the SMILES notation for 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide?
The canonical SMILES for 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide is CC(C)N(O)C(=O)CCCCCCC(=O)Cc1ncc(SCc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide?
The InChIKey is OBLHPIAOFADPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S2/c1-16(2)26(29)21(28)11-9-7-6-8-10-17(27)12-20-25-14-22(32-20)31-15-19-24-13-18(30-19)23(3,4)5/h13-14,16,29H,6-12,15H2,1-5H3.
What are the key properties of 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide?
9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide has a molecular weight of 481.68 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide is sourced from PubChem (CID 159945627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).