methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate

C20H30N4O6 — CID 23378059

IUPACmethyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)C1
InChIInChI=1S/C20H30N4O6/c1-29-20(27)15-11-24(12-15)19(26)17-21-18(30-23-17)14(10-16(25)22-28)9-5-8-13-6-3-2-4-7-13/h13-15,28H,2-12H2,1H3,(H,22,25)
InChIKeyZNCOYFLGZOWPTN-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.04
Rot. Bonds9

About methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate

methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate (PubChem CID 23378059) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
PubChem CID23378059
Molecular FormulaC20H30N4O6
Molecular Weight422.48 g/mol
Exact Mass422.22
IUPAC Namemethyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)C1
InChIInChI=1S/C20H30N4O6/c1-29-20(27)15-11-24(12-15)19(26)17-21-18(30-23-17)14(10-16(25)22-28)9-5-8-13-6-3-2-4-7-13/h13-15,28H,2-12H2,1H3,(H,22,25)
InChIKeyZNCOYFLGZOWPTN-UHFFFAOYSA-N
XLogP2.04
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate (CID 23378059) is methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate is COC(=O)C1CN(C(=O)c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)C1.
What is the InChIKey of methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate?
The InChIKey is ZNCOYFLGZOWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O6/c1-29-20(27)15-11-24(12-15)19(26)17-21-18(30-23-17)14(10-16(25)22-28)9-5-8-13-6-3-2-4-7-13/h13-15,28H,2-12H2,1H3,(H,22,25).
What are the key properties of methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate?
methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate is sourced from PubChem (CID 23378059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).