(2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol

C23H29N3O4 — CID 93181416

About (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol

(2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol (PubChem CID 93181416) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol
• PubChem CID: 93181416
• Molecular Formula: C23H29N3O4
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.22
• IUPAC Name: (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol
• SMILES: CCOC[C@H](O)CN(CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1
• InChI: InChI=1S/C23H29N3O4/c1-3-29-17-20(27)16-26(15-18-8-5-4-6-9-18)13-12-22-24-23(25-30-22)19-10-7-11-21(14-19)28-2/h4-11,14,20,27H,3,12-13,15-17H2,1-2H3/t20-/m1/s1
• InChIKey: AHZDOVODTGFXRJ-HXUWFJFHSA-N
• XLogP: 3.19
• TPSA: 80.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol?

The IUPAC name of (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol (CID 93181416) is (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol.

What is the SMILES notation for (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol?

The canonical SMILES for (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol is CCOC[C@H](O)CN(CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1.

What is the InChIKey of (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol?

The InChIKey is AHZDOVODTGFXRJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-29-17-20(27)16-26(15-18-8-5-4-6-9-18)13-12-22-24-23(25-30-22)19-10-7-11-21(14-19)28-2/h4-11,14,20,27H,3,12-13,15-17H2,1-2H3/t20-/m1/s1.

What are the key properties of (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol?

(2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol has a molecular weight of 411.50 g/mol, XLogP of 3.19, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 93181416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).