1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol

C23H29N3O4 — CID 42842247

About 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol

1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol (PubChem CID 42842247) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol.

Molecular Properties

• Compound Name: 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol
• PubChem CID: 42842247
• Molecular Formula: C23H29N3O4
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.22
• IUPAC Name: 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol
• SMILES: CCC(O)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1
• InChI: InChI=1S/C23H29N3O4/c1-2-19(27)15-25(16-20-9-6-12-29-20)17-21-22(18-7-4-3-5-8-18)24-30-23(21)26-10-13-28-14-11-26/h3-9,12,19,27H,2,10-11,13-17H2,1H3
• InChIKey: UBONGEBNPSGFNY-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol?

The IUPAC name of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol (CID 42842247) is 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol.

What is the SMILES notation for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol?

The canonical SMILES for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol is CCC(O)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1.

What is the InChIKey of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol?

The InChIKey is UBONGEBNPSGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-19(27)15-25(16-20-9-6-12-29-20)17-21-22(18-7-4-3-5-8-18)24-30-23(21)26-10-13-28-14-11-26/h3-9,12,19,27H,2,10-11,13-17H2,1H3.

What are the key properties of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol?

1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol has a molecular weight of 411.50 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 42842247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).