1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

C24H38FN3O4 — CID 42842124

About 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 42842124) has the molecular formula C24H38FN3O4 and a molecular weight of 451.58 g/mol. Its IUPAC name is 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
• PubChem CID: 42842124
• Molecular Formula: C24H38FN3O4
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.28
• IUPAC Name: 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
• SMILES: CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)CC(O)COC(C)C
• InChI: InChI=1S/C24H38FN3O4/c1-6-28(7-2)24-22(23(26-32-24)19-9-11-20(25)12-10-19)16-27(13-8-14-30-5)15-21(29)17-31-18(3)4/h9-12,18,21,29H,6-8,13-17H2,1-5H3
• InChIKey: MSMNYNPAYZKMHJ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 71.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?

The IUPAC name of 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 42842124) is 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

What is the SMILES notation for 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?

The canonical SMILES for 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)CC(O)COC(C)C.

What is the InChIKey of 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?

The InChIKey is MSMNYNPAYZKMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN3O4/c1-6-28(7-2)24-22(23(26-32-24)19-9-11-20(25)12-10-19)16-27(13-8-14-30-5)15-21(29)17-31-18(3)4/h9-12,18,21,29H,6-8,13-17H2,1-5H3.

What are the key properties of 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?

1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 451.58 g/mol, XLogP of 3.95, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 42842124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).