(3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate

C33H55N7O7 — CID 159728958

About (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate

(3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate (PubChem CID 159728958) has the molecular formula C33H55N7O7 and a molecular weight of 661.85 g/mol. Its IUPAC name is (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate.

Molecular Properties

• Compound Name: (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate
• PubChem CID: 159728958
• Molecular Formula: C33H55N7O7
• Molecular Weight: 661.85 g/mol
• Exact Mass: 661.42
• IUPAC Name: (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate
• SMILES: CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NN)no1.Nc1noc(C(CCCC2CCCCC2)CC(=O)O)n1
• InChI: InChI=1S/C19H32N4O4.C14H23N3O3/c1-19(2,3)26-15(24)12-14(11-7-10-13-8-5-4-6-9-13)18-21-16(23-27-18)17(25)22-20;15-14-16-13(20-17-14)11(9-12(18)19)8-4-7-10-5-2-1-3-6-10/h13-14H,4-12,20H2,1-3H3,(H,22,25);10-11H,1-9H2,(H2,15,17)(H,18,19)/t14-;/m1./s1
• InChIKey: NAZLNAOPOGLCIU-PFEQFJNWSA-N
• XLogP: 6.20
• TPSA: 222.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	661.85
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate?

The IUPAC name of (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate (CID 159728958) is (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate.

What is the SMILES notation for (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate?

The canonical SMILES for (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate is CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NN)no1.Nc1noc(C(CCCC2CCCCC2)CC(=O)O)n1.

What is the InChIKey of (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate?

The InChIKey is NAZLNAOPOGLCIU-PFEQFJNWSA-N. The full InChI is InChI=1S/C19H32N4O4.C14H23N3O3/c1-19(2,3)26-15(24)12-14(11-7-10-13-8-5-4-6-9-13)18-21-16(23-27-18)17(25)22-20;15-14-16-13(20-17-14)11(9-12(18)19)8-4-7-10-5-2-1-3-6-10/h13-14H,4-12,20H2,1-3H3,(H,22,25);10-11H,1-9H2,(H2,15,17)(H,18,19)/t14-;/m1./s1.

What are the key properties of (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate?

(3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate has a molecular weight of 661.85 g/mol, XLogP of 6.20, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3-amino-1,2,4-oxadiazol-5-yl)-6-cyclohexylhexanoic acid;tert-butyl (3R)-6-cyclohexyl-3-[3-(hydrazinecarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate is sourced from PubChem (CID 159728958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).