1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol

C24H37N3O3S — CID 42842286

About 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol (PubChem CID 42842286) has the molecular formula C24H37N3O3S and a molecular weight of 447.65 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
• PubChem CID: 42842286
• Molecular Formula: C24H37N3O3S
• Molecular Weight: 447.65 g/mol
• Exact Mass: 447.26
• IUPAC Name: 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
• SMILES: CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(O)COC(C)(C)C
• InChI: InChI=1S/C24H37N3O3S/c1-5-11-26(16-20(28)18-29-24(2,3)4)17-21-22(19-9-7-6-8-10-19)25-30-23(21)27-12-14-31-15-13-27/h6-10,20,28H,5,11-18H2,1-4H3
• InChIKey: ZZUPTCJHNWVQSB-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 61.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.65
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol?

The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol (CID 42842286) is 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol.

What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol?

The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol is CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(O)COC(C)(C)C.

What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol?

The InChIKey is ZZUPTCJHNWVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3S/c1-5-11-26(16-20(28)18-29-24(2,3)4)17-21-22(19-9-7-6-8-10-19)25-30-23(21)27-12-14-31-15-13-27/h6-10,20,28H,5,11-18H2,1-4H3.

What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol?

1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol has a molecular weight of 447.65 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol is sourced from PubChem (CID 42842286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).