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

C18H30N4O6S — CID 10202981

IUPAC5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O6S/c1-12(2)29(26,27)22-17(24)16-19-18(28-21-16)14(11-15(23)20-25)10-6-9-13-7-4-3-5-8-13/h12-14,25H,3-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDSAKWYGWZXHGJX-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.27
Rot. Bonds10

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

5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 10202981) has the molecular formula C18H30N4O6S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID10202981
Molecular FormulaC18H30N4O6S
Molecular Weight430.53 g/mol
Exact Mass430.19
IUPAC Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O6S/c1-12(2)29(26,27)22-17(24)16-19-18(28-21-16)14(11-15(23)20-25)10-6-9-13-7-4-3-5-8-13/h12-14,25H,3-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDSAKWYGWZXHGJX-UHFFFAOYSA-N
XLogP2.27
TPSA151.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide (CID 10202981) is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide is CC(C)S(=O)(=O)NC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DSAKWYGWZXHGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O6S/c1-12(2)29(26,27)22-17(24)16-19-18(28-21-16)14(11-15(23)20-25)10-6-9-13-7-4-3-5-8-13/h12-14,25H,3-11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-propan-2-ylsulfonyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10202981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).