(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

C23H37N5O6 — CID 90737405

IUPAC(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)N1CCN(C(=O)c2cc(C)on2)CC1)C(C)(C)C
InChIInChI=1S/C23H37N5O6/c1-6-7-8-17(14-28(33)15-29)20(30)24-19(23(3,4)5)22(32)27-11-9-26(10-12-27)21(31)18-13-16(2)34-25-18/h13,15,17,19,33H,6-12,14H2,1-5H3,(H,24,30)/t17-,19?/m1/s1
InChIKeyJHSYEFFHPNGYIJ-DUSLRRAJSA-N
MW479.58 g/mol
LogP1.45
Rot. Bonds10

About (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (PubChem CID 90737405) has the molecular formula C23H37N5O6 and a molecular weight of 479.58 g/mol. Its IUPAC name is (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
PubChem CID90737405
Molecular FormulaC23H37N5O6
Molecular Weight479.58 g/mol
Exact Mass479.27
IUPAC Name(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)N1CCN(C(=O)c2cc(C)on2)CC1)C(C)(C)C
InChIInChI=1S/C23H37N5O6/c1-6-7-8-17(14-28(33)15-29)20(30)24-19(23(3,4)5)22(32)27-11-9-26(10-12-27)21(31)18-13-16(2)34-25-18/h13,15,17,19,33H,6-12,14H2,1-5H3,(H,24,30)/t17-,19?/m1/s1
InChIKeyJHSYEFFHPNGYIJ-DUSLRRAJSA-N
XLogP1.45
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The IUPAC name of (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (CID 90737405) is (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.
What is the SMILES notation for (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The canonical SMILES for (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is CCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)N1CCN(C(=O)c2cc(C)on2)CC1)C(C)(C)C.
What is the InChIKey of (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The InChIKey is JHSYEFFHPNGYIJ-DUSLRRAJSA-N. The full InChI is InChI=1S/C23H37N5O6/c1-6-7-8-17(14-28(33)15-29)20(30)24-19(23(3,4)5)22(32)27-11-9-26(10-12-27)21(31)18-13-16(2)34-25-18/h13,15,17,19,33H,6-12,14H2,1-5H3,(H,24,30)/t17-,19?/m1/s1.
What are the key properties of (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide has a molecular weight of 479.58 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is sourced from PubChem (CID 90737405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).