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

C18H30N4O3 — CID 10132603

IUPAC(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO
InChIInChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1
InChIKeyQJFOXZKOYGQQLX-CQSZACIVSA-N
MW350.46 g/mol
LogP3.05
Rot. Bonds10

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

(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 10132603) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID10132603
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO
InChIInChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1
InChIKeyQJFOXZKOYGQQLX-CQSZACIVSA-N
XLogP3.05
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.05
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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Related Compounds

(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 9818682
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(methylsulfonyl)amino]-methyl}-1,2,4-oxadiazol-5-yl)hexanamide
CID 10271604
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[(methylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 9858438
(3R)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 9880993
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 9902427
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9922714
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N,N-dimethyl-1,2,4-oxadiazole-3-carboxamide
CID 9924640
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(1-pyrrolidinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9925298
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-isopropyl-1,2,4-oxadiazole-3-carboxamide
CID 9947332
(3R)-6-cyclohexyl-3-{3-[(ethylamino)methyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 9967696
(3R)-3-{3-[(acetylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
CID 9968401
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 9969928

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 10132603) is (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is QJFOXZKOYGQQLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 350.46 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 10132603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).