(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide

C20H29N5O5S — CID 10182462

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNS(=O)(=O)c2cccnc2)no1)NO
InChIInChI=1S/C20H29N5O5S/c26-19(24-27)12-16(9-4-8-15-6-2-1-3-7-15)20-23-18(25-30-20)14-22-31(28,29)17-10-5-11-21-13-17/h5,10-11,13,15-16,22,27H,1-4,6-9,12,14H2,(H,24,26)/t16-/m1/s1
InChIKeyQSFKIQZVLNUDND-MRXNPFEDSA-N
MW451.55 g/mol
LogP2.67
Rot. Bonds11

About (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 10182462) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID10182462
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNS(=O)(=O)c2cccnc2)no1)NO
InChIInChI=1S/C20H29N5O5S/c26-19(24-27)12-16(9-4-8-15-6-2-1-3-7-15)20-23-18(25-30-20)14-22-31(28,29)17-10-5-11-21-13-17/h5,10-11,13,15-16,22,27H,1-4,6-9,12,14H2,(H,24,26)/t16-/m1/s1
InChIKeyQSFKIQZVLNUDND-MRXNPFEDSA-N
XLogP2.67
TPSA147.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.67
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 (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 10182462) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(CNS(=O)(=O)c2cccnc2)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is QSFKIQZVLNUDND-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N5O5S/c26-19(24-27)12-16(9-4-8-15-6-2-1-3-7-15)20-23-18(25-30-20)14-22-31(28,29)17-10-5-11-21-13-17/h5,10-11,13,15-16,22,27H,1-4,6-9,12,14H2,(H,24,26)/t16-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 451.55 g/mol, XLogP of 2.67, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 10182462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).