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

C17H30N4O5S — CID 87831710

IUPAC(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(N2CCCS2(O)O)no1)NO
InChIInChI=1S/C17H30N4O5S/c22-15(19-23)12-14(9-4-8-13-6-2-1-3-7-13)16-18-17(20-26-16)21-10-5-11-27(21,24)25/h13-14,23-25H,1-12H2,(H,19,22)/t14-/m1/s1
InChIKeyHHUFNDQWIMKVSO-CQSZACIVSA-N
MW402.52 g/mol
LogP3.67
Rot. Bonds8

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

(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 87831710) has the molecular formula C17H30N4O5S and a molecular weight of 402.52 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID87831710
Molecular FormulaC17H30N4O5S
Molecular Weight402.52 g/mol
Exact Mass402.19
IUPAC Name(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(N2CCCS2(O)O)no1)NO
InChIInChI=1S/C17H30N4O5S/c22-15(19-23)12-14(9-4-8-13-6-2-1-3-7-13)16-18-17(20-26-16)21-10-5-11-27(21,24)25/h13-14,23-25H,1-12H2,(H,19,22)/t14-/m1/s1
InChIKeyHHUFNDQWIMKVSO-CQSZACIVSA-N
XLogP3.67
TPSA131.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.67
H-Bond Donors ≤ 54
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 (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 87831710) is (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(N2CCCS2(O)O)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is HHUFNDQWIMKVSO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N4O5S/c22-15(19-23)12-14(9-4-8-13-6-2-1-3-7-13)16-18-17(20-26-16)21-10-5-11-27(21,24)25/h13-14,23-25H,1-12H2,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 402.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 87831710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).