methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate

C18H30N4O5 — CID 21305061

IUPACmethyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
SMILESCOC(=O)CNCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O5/c1-26-17(24)12-19-11-15-20-18(27-22-15)14(10-16(23)21-25)9-5-8-13-6-3-2-4-7-13/h13-14,19,25H,2-12H2,1H3,(H,21,23)
InChIKeyJDCZFJLHGKUITG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds11

About methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate

methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate (PubChem CID 21305061) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
PubChem CID21305061
Molecular FormulaC18H30N4O5
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC Namemethyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
SMILESCOC(=O)CNCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O5/c1-26-17(24)12-19-11-15-20-18(27-22-15)14(10-16(23)21-25)9-5-8-13-6-3-2-4-7-13/h13-14,19,25H,2-12H2,1H3,(H,21,23)
InChIKeyJDCZFJLHGKUITG-UHFFFAOYSA-N
XLogP2.06
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
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 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate (CID 21305061) is methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate is COC(=O)CNCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate?
The InChIKey is JDCZFJLHGKUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5/c1-26-17(24)12-19-11-15-20-18(27-22-15)14(10-16(23)21-25)9-5-8-13-6-3-2-4-7-13/h13-14,19,25H,2-12H2,1H3,(H,21,23).
What are the key properties of methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate?
methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate has a molecular weight of 382.46 g/mol, XLogP of 2.06, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate is sourced from PubChem (CID 21305061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).