(2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C26H30N2O4 — CID 99730480

About (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 99730480) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 99730480
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1
• InChI: InChI=1S/C26H30N2O4/c1-20-8-5-6-12-25(20)26-14-24(32-27-26)17-28(15-21-9-3-2-4-10-21)16-22(29)18-30-19-23-11-7-13-31-23/h2-13,22,24,29H,14-19H2,1H3/t22-,24+/m1/s1
• InChIKey: MRQYSCHCGOUHCA-VWNXMTODSA-N
• XLogP: 4.16
• TPSA: 67.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 99730480) is (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1.

What is the InChIKey of (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is MRQYSCHCGOUHCA-VWNXMTODSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-20-8-5-6-12-25(20)26-14-24(32-27-26)17-28(15-21-9-3-2-4-10-21)16-22(29)18-30-19-23-11-7-13-31-23/h2-13,22,24,29H,14-19H2,1H3/t22-,24+/m1/s1.

What are the key properties of (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 434.54 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[benzyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 99730480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).