5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine

C34H30N4O7 — CID 159260554

About 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine

5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine (PubChem CID 159260554) has the molecular formula C34H30N4O7 and a molecular weight of 606.64 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
• PubChem CID: 159260554
• Molecular Formula: C34H30N4O7
• Molecular Weight: 606.64 g/mol
• Exact Mass: 606.21
• IUPAC Name: 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
• SMILES: O=C(O)c1cc(-c2ccco2)on1.O=C(c1cc(-c2ccco2)on1)N1CC(c2ccccc2)C1.c1ccc(C2CNC2)cc1
• InChI: InChI=1S/C17H14N2O3.C9H11N.C8H5NO4/c20-17(14-9-16(22-18-14)15-7-4-8-21-15)19-10-13(11-19)12-5-2-1-3-6-12;1-2-4-8(5-3-1)9-6-10-7-9;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-9,13H,10-11H2;1-5,9-10H,6-7H2;1-4H,(H,10,11)
• InChIKey: KWLLJTQVUSLWDS-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 147.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.64
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?

The IUPAC name of 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine (CID 159260554) is 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine.

What is the SMILES notation for 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?

The canonical SMILES for 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine is O=C(O)c1cc(-c2ccco2)on1.O=C(c1cc(-c2ccco2)on1)N1CC(c2ccccc2)C1.c1ccc(C2CNC2)cc1.

What is the InChIKey of 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?

The InChIKey is KWLLJTQVUSLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C9H11N.C8H5NO4/c20-17(14-9-16(22-18-14)15-7-4-8-21-15)19-10-13(11-19)12-5-2-1-3-6-12;1-2-4-8(5-3-1)9-6-10-7-9;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-9,13H,10-11H2;1-5,9-10H,6-7H2;1-4H,(H,10,11).

What are the key properties of 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?

5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine has a molecular weight of 606.64 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine is sourced from PubChem (CID 159260554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).