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

C18H30N4O4 — CID 10155792

IUPAC(3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(=O)N(C)Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O4/c1-13(23)22(2)12-16-19-18(26-21-16)15(11-17(24)20-25)10-6-9-14-7-4-3-5-8-14/h14-15,25H,3-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyWWCNZZQQQBPRHF-OAHLLOKOSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds9

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

(3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (PubChem CID 10155792) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
PubChem CID10155792
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name(3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(=O)N(C)Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H30N4O4/c1-13(23)22(2)12-16-19-18(26-21-16)15(11-17(24)20-25)10-6-9-14-7-4-3-5-8-14/h14-15,25H,3-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyWWCNZZQQQBPRHF-OAHLLOKOSA-N
XLogP2.78
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
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)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The IUPAC name of (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (CID 10155792) is (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The canonical SMILES for (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is CC(=O)N(C)Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The InChIKey is WWCNZZQQQBPRHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-13(23)22(2)12-16-19-18(26-21-16)15(11-17(24)20-25)10-6-9-14-7-4-3-5-8-14/h14-15,25H,3-12H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
(3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide has a molecular weight of 366.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is sourced from PubChem (CID 10155792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).