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

C18H32N4O3 — CID 10269446

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCC(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H32N4O3/c1-13(2)19-12-16-20-18(25-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPKPJCYUZLWOTKC-OAHLLOKOSA-N
MW352.48 g/mol
LogP3.30
Rot. Bonds10

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

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 10269446) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID10269446
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCC(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H32N4O3/c1-13(2)19-12-16-20-18(25-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPKPJCYUZLWOTKC-OAHLLOKOSA-N
XLogP3.30
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 10269446) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is CC(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is PKPJCYUZLWOTKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-13(2)19-12-16-20-18(25-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 352.48 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 10269446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).