N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C23H32N4O4 — CID 10180993

IUPACN-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C23H32N4O4/c1-27(16-18-11-6-3-7-12-18)23(29)21-24-22(31-26-21)19(15-20(28)25-30)14-8-13-17-9-4-2-5-10-17/h3,6-7,11-12,17,19,30H,2,4-5,8-10,13-16H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeyJRIDLXYLYGFXAV-LJQANCHMSA-N
MW428.53 g/mol
LogP4.07
Rot. Bonds10

About N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 10180993) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID10180993
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C23H32N4O4/c1-27(16-18-11-6-3-7-12-18)23(29)21-24-22(31-26-21)19(15-20(28)25-30)14-8-13-17-9-4-2-5-10-17/h3,6-7,11-12,17,19,30H,2,4-5,8-10,13-16H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeyJRIDLXYLYGFXAV-LJQANCHMSA-N
XLogP4.07
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.07
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-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 10180993) is N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CN(Cc1ccccc1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JRIDLXYLYGFXAV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-27(16-18-11-6-3-7-12-18)23(29)21-24-22(31-26-21)19(15-20(28)25-30)14-8-13-17-9-4-2-5-10-17/h3,6-7,11-12,17,19,30H,2,4-5,8-10,13-16H2,1H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10180993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).