1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol

C26H30FN3O3 — CID 42843847

About 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol

1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 42843847) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
• PubChem CID: 42843847
• Molecular Formula: C26H30FN3O3
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.23
• IUPAC Name: 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
• SMILES: OC(Cc1ccccc1)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1
• InChI: InChI=1S/C26H30FN3O3/c27-24-9-5-4-8-22(24)25-23(26(33-28-25)29-12-14-32-15-13-29)18-30(20-10-11-20)17-21(31)16-19-6-2-1-3-7-19/h1-9,20-21,31H,10-18H2
• InChIKey: ZRORBDMMKRDBDT-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 61.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?

The IUPAC name of 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol (CID 42843847) is 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?

The canonical SMILES for 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1.

What is the InChIKey of 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?

The InChIKey is ZRORBDMMKRDBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-24-9-5-4-8-22(24)25-23(26(33-28-25)29-12-14-32-15-13-29)18-30(20-10-11-20)17-21(31)16-19-6-2-1-3-7-19/h1-9,20-21,31H,10-18H2.

What are the key properties of 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?

1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 451.54 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 42843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).