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

C38H65N9O8 — CID 159714511

IUPAC(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.CN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C19H33N5O4.C19H32N4O4/c1-24(2)13-18(26)20-12-16-21-19(28-23-16)15(11-17(25)22-27)10-6-9-14-7-4-3-5-8-14;1-23(2)13-17(24)20-12-16-21-19(27-22-16)15(11-18(25)26)10-6-9-14-7-4-3-5-8-14/h14-15,27H,3-13H2,1-2H3,(H,20,26)(H,22,25);14-15H,3-13H2,1-2H3,(H,20,24)(H,25,26)/t2*15-/m11/s1
InChIKeyMZGJDSCCVRXPJR-PZYGRECOSA-N
MW775.99 g/mol
LogP4.53
Rot. Bonds22

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

(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 159714511) has the molecular formula C38H65N9O8 and a molecular weight of 775.99 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID159714511
Molecular FormulaC38H65N9O8
Molecular Weight775.99 g/mol
Exact Mass775.50
IUPAC Name(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.CN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C19H33N5O4.C19H32N4O4/c1-24(2)13-18(26)20-12-16-21-19(28-23-16)15(11-17(25)22-27)10-6-9-14-7-4-3-5-8-14;1-23(2)13-17(24)20-12-16-21-19(27-22-16)15(11-18(25)26)10-6-9-14-7-4-3-5-8-14/h14-15,27H,3-13H2,1-2H3,(H,20,26)(H,22,25);14-15H,3-13H2,1-2H3,(H,20,24)(H,25,26)/t2*15-/m11/s1
InChIKeyMZGJDSCCVRXPJR-PZYGRECOSA-N
XLogP4.53
TPSA229.15 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.99
LogP ≤ 54.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 159714511) is (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is CN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.CN(C)CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is MZGJDSCCVRXPJR-PZYGRECOSA-N. The full InChI is InChI=1S/C19H33N5O4.C19H32N4O4/c1-24(2)13-18(26)20-12-16-21-19(28-23-16)15(11-17(25)22-27)10-6-9-14-7-4-3-5-8-14;1-23(2)13-17(24)20-12-16-21-19(27-22-16)15(11-18(25)26)10-6-9-14-7-4-3-5-8-14/h14-15,27H,3-13H2,1-2H3,(H,20,26)(H,22,25);14-15H,3-13H2,1-2H3,(H,20,24)(H,25,26)/t2*15-/m11/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 775.99 g/mol, XLogP of 4.53, 22 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 159714511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).