1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C18H23N5O3 — CID 128980366

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128980366) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• PubChem CID: 128980366
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• SMILES: CC(C)n1cc(C2(O)CCCN(Cc3cc(-c4ccco4)on3)C2)nn1
• InChI: InChI=1S/C18H23N5O3/c1-13(2)23-11-17(19-21-23)18(24)6-4-7-22(12-18)10-14-9-16(26-20-14)15-5-3-8-25-15/h3,5,8-9,11,13,24H,4,6-7,10,12H2,1-2H3
• InChIKey: UVQIRNSJWRRKNQ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 93.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128980366) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(Cc3cc(-c4ccco4)on3)C2)nn1.

What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The InChIKey is UVQIRNSJWRRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13(2)23-11-17(19-21-23)18(24)6-4-7-22(12-18)10-14-9-16(26-20-14)15-5-3-8-25-15/h3,5,8-9,11,13,24H,4,6-7,10,12H2,1-2H3.

What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 357.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128980366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).