(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

C24H41N3O3 — CID 69432947

About (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 69432947) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

• Compound Name: (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
• PubChem CID: 69432947
• Molecular Formula: C24H41N3O3
• Molecular Weight: 419.61 g/mol
• Exact Mass: 419.31
• IUPAC Name: (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
• SMILES: CC(C)(C)C(C(=O)O)[C@@H](CCCC1CCCCC1)c1nc(CNC2CCCC2)no1
• InChI: InChI=1S/C24H41N3O3/c1-24(2,3)21(23(28)29)19(15-9-12-17-10-5-4-6-11-17)22-26-20(27-30-22)16-25-18-13-7-8-14-18/h17-19,21,25H,4-16H2,1-3H3,(H,28,29)/t19-,21?/m1/s1
• InChIKey: GERDEXYWPKUFCM-YMBRHYMPSA-N
• XLogP: 5.68
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.61
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The IUPAC name of (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 69432947) is (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

What is the SMILES notation for (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The canonical SMILES for (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CC(C)(C)C(C(=O)O)[C@@H](CCCC1CCCCC1)c1nc(CNC2CCCC2)no1.

What is the InChIKey of (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The InChIKey is GERDEXYWPKUFCM-YMBRHYMPSA-N. The full InChI is InChI=1S/C24H41N3O3/c1-24(2,3)21(23(28)29)19(15-9-12-17-10-5-4-6-11-17)22-26-20(27-30-22)16-25-18-13-7-8-14-18/h17-19,21,25H,4-16H2,1-3H3,(H,28,29)/t19-,21?/m1/s1.

What are the key properties of (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 419.61 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(cyclopentylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 69432947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).