N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide

C24H23N3O3S — CID 58417119

IUPACN-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide
SMILESCC(C)[C@@H](Cc1nc(-c2cc(-c3ccccc3)no2)cs1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C24H23N3O3S/c1-15(2)19(16-8-10-18(11-9-16)24(28)26-29)12-23-25-21(14-31-23)22-13-20(27-30-22)17-6-4-3-5-7-17/h3-11,13-15,19,29H,12H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyVZXUPDLBJJKUCU-LJQANCHMSA-N
MW433.53 g/mol
LogP5.57
Rot. Bonds7

About N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide

N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide (PubChem CID 58417119) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide
PubChem CID58417119
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide
SMILESCC(C)[C@@H](Cc1nc(-c2cc(-c3ccccc3)no2)cs1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C24H23N3O3S/c1-15(2)19(16-8-10-18(11-9-16)24(28)26-29)12-23-25-21(14-31-23)22-13-20(27-30-22)17-6-4-3-5-7-17/h3-11,13-15,19,29H,12H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyVZXUPDLBJJKUCU-LJQANCHMSA-N
XLogP5.57
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide?
The IUPAC name of N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide (CID 58417119) is N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide is CC(C)[C@@H](Cc1nc(-c2cc(-c3ccccc3)no2)cs1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide?
The InChIKey is VZXUPDLBJJKUCU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15(2)19(16-8-10-18(11-9-16)24(28)26-29)12-23-25-21(14-31-23)22-13-20(27-30-22)17-6-4-3-5-7-17/h3-11,13-15,19,29H,12H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide?
N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2R)-3-methyl-1-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]butan-2-yl]benzamide is sourced from PubChem (CID 58417119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).