(2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol

C28H37N3O3 — CID 93179948

About (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol

(2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 93179948) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol
• PubChem CID: 93179948
• Molecular Formula: C28H37N3O3
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.28
• IUPAC Name: (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol
• SMILES: CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1
• InChI: InChI=1S/C28H37N3O3/c1-22(2)18-30(19-24(32)21-33-25-14-8-4-9-15-25)20-26-27(23-12-6-3-7-13-23)29-34-28(26)31-16-10-5-11-17-31/h3-4,6-9,12-15,22,24,32H,5,10-11,16-21H2,1-2H3/t24-/m1/s1
• InChIKey: YOWXVSDFMLEPGX-XMMPIXPASA-N
• XLogP: 5.23
• TPSA: 61.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol?

The IUPAC name of (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol (CID 93179948) is (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol.

What is the SMILES notation for (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol?

The canonical SMILES for (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol is CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1.

What is the InChIKey of (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol?

The InChIKey is YOWXVSDFMLEPGX-XMMPIXPASA-N. The full InChI is InChI=1S/C28H37N3O3/c1-22(2)18-30(19-24(32)21-33-25-14-8-4-9-15-25)20-26-27(23-12-6-3-7-13-23)29-34-28(26)31-16-10-5-11-17-31/h3-4,6-9,12-15,22,24,32H,5,10-11,16-21H2,1-2H3/t24-/m1/s1.

What are the key properties of (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol?

(2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 463.62 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93179948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).