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

C18H30N4O4 — CID 10270281

IUPAC5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O4/c1-2-11-19-17(24)16-20-18(26-22-16)14(12-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h13-14,25H,2-12H2,1H3,(H,19,24)(H,21,23)
InChIKeyIALSBWBRIDYNGC-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.94
Rot. Bonds10

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

5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 10270281) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID10270281
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O4/c1-2-11-19-17(24)16-20-18(26-22-16)14(12-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h13-14,25H,2-12H2,1H3,(H,19,24)(H,21,23)
InChIKeyIALSBWBRIDYNGC-UHFFFAOYSA-N
XLogP2.94
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
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 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide (CID 10270281) is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide is CCCNC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IALSBWBRIDYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-2-11-19-17(24)16-20-18(26-22-16)14(12-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h13-14,25H,2-12H2,1H3,(H,19,24)(H,21,23).
What are the key properties of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10270281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).