1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol

C21H25FN2O3 — CID 46014544

About 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol

1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol (PubChem CID 46014544) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol
• PubChem CID: 46014544
• Molecular Formula: C21H25FN2O3
• Molecular Weight: 372.44 g/mol
• Exact Mass: 372.18
• IUPAC Name: 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol
• SMILES: COCC(O)CN(Cc1ccc(F)cc1)CC1CC(c2ccccc2)=NO1
• InChI: InChI=1S/C21H25FN2O3/c1-26-15-19(25)13-24(12-16-7-9-18(22)10-8-16)14-20-11-21(23-27-20)17-5-3-2-4-6-17/h2-10,19-20,25H,11-15H2,1H3
• InChIKey: OOVUXNSTBDLCLR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 54.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.44
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol (CID 46014544) is 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol.

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

The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol is COCC(O)CN(Cc1ccc(F)cc1)CC1CC(c2ccccc2)=NO1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol?

The InChIKey is OOVUXNSTBDLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-26-15-19(25)13-24(12-16-7-9-18(22)10-8-16)14-20-11-21(23-27-20)17-5-3-2-4-6-17/h2-10,19-20,25H,11-15H2,1H3.

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

1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol has a molecular weight of 372.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 46014544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).