(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

C18H30N4O5S — CID 10112489

IUPAC(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CN2CCCS2(=O)=O)no1)NO
InChIInChI=1S/C18H30N4O5S/c23-17(20-24)12-15(9-4-8-14-6-2-1-3-7-14)18-19-16(21-27-18)13-22-10-5-11-28(22,25)26/h14-15,24H,1-13H2,(H,20,23)/t15-/m1/s1
InChIKeyJLBFVFOAWVBNFN-OAHLLOKOSA-N
MW414.53 g/mol
LogP2.33
Rot. Bonds9

About (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 10112489) has the molecular formula C18H30N4O5S and a molecular weight of 414.53 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID10112489
Molecular FormulaC18H30N4O5S
Molecular Weight414.53 g/mol
Exact Mass414.19
IUPAC Name(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CN2CCCS2(=O)=O)no1)NO
InChIInChI=1S/C18H30N4O5S/c23-17(20-24)12-15(9-4-8-14-6-2-1-3-7-14)18-19-16(21-27-18)13-22-10-5-11-28(22,25)26/h14-15,24H,1-13H2,(H,20,23)/t15-/m1/s1
InChIKeyJLBFVFOAWVBNFN-OAHLLOKOSA-N
XLogP2.33
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 10112489) is (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(CN2CCCS2(=O)=O)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is JLBFVFOAWVBNFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O5S/c23-17(20-24)12-15(9-4-8-14-6-2-1-3-7-14)18-19-16(21-27-18)13-22-10-5-11-28(22,25)26/h14-15,24H,1-13H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 414.53 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 10112489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).