3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide

C34H56N6O8 — CID 90905609

IUPAC3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
SMILESCCCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.O=C(O)CCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H27N3O5.C17H29N3O3/c21-15(19-24)11-13(8-4-7-12-5-2-1-3-6-12)17-18-14(20-25-17)9-10-16(22)23;1-2-7-15-18-17(23-20-15)14(12-16(21)19-22)11-6-10-13-8-4-3-5-9-13/h12-13,24H,1-11H2,(H,19,21)(H,22,23);13-14,22H,2-12H2,1H3,(H,19,21)/t13-;14-/m11/s1
InChIKeyXPHUZHDDTHKLPO-PZDXOQIKSA-N
MW676.86 g/mol
LogP6.57
Rot. Bonds19

About 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide

3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide (PubChem CID 90905609) has the molecular formula C34H56N6O8 and a molecular weight of 676.86 g/mol. Its IUPAC name is 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide.

Molecular Properties

Compound Name3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
PubChem CID90905609
Molecular FormulaC34H56N6O8
Molecular Weight676.86 g/mol
Exact Mass676.42
IUPAC Name3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
SMILESCCCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.O=C(O)CCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H27N3O5.C17H29N3O3/c21-15(19-24)11-13(8-4-7-12-5-2-1-3-6-12)17-18-14(20-25-17)9-10-16(22)23;1-2-7-15-18-17(23-20-15)14(12-16(21)19-22)11-6-10-13-8-4-3-5-9-13/h12-13,24H,1-11H2,(H,19,21)(H,22,23);13-14,22H,2-12H2,1H3,(H,19,21)/t13-;14-/m11/s1
InChIKeyXPHUZHDDTHKLPO-PZDXOQIKSA-N
XLogP6.57
TPSA213.80 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 56.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide?
The IUPAC name of 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide (CID 90905609) is 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide.
What is the SMILES notation for 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide?
The canonical SMILES for 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide is CCCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.O=C(O)CCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide?
The InChIKey is XPHUZHDDTHKLPO-PZDXOQIKSA-N. The full InChI is InChI=1S/C17H27N3O5.C17H29N3O3/c21-15(19-24)11-13(8-4-7-12-5-2-1-3-6-12)17-18-14(20-25-17)9-10-16(22)23;1-2-7-15-18-17(23-20-15)14(12-16(21)19-22)11-6-10-13-8-4-3-5-9-13/h12-13,24H,1-11H2,(H,19,21)(H,22,23);13-14,22H,2-12H2,1H3,(H,19,21)/t13-;14-/m11/s1.
What are the key properties of 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide?
3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide has a molecular weight of 676.86 g/mol, XLogP of 6.57, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide is sourced from PubChem (CID 90905609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).