1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine

C23H27N3O3 — CID 56665422

About 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine (PubChem CID 56665422) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine
• PubChem CID: 56665422
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine
• SMILES: c1ccc(Cc2nc(C(NCc3ccco3)C3CC3)oc2N2CCOCC2)cc1
• InChI: InChI=1S/C23H27N3O3/c1-2-5-17(6-3-1)15-20-23(26-10-13-27-14-11-26)29-22(25-20)21(18-8-9-18)24-16-19-7-4-12-28-19/h1-7,12,18,21,24H,8-11,13-16H2
• InChIKey: RPCPNCKAVKGRBJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 63.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine?

The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine (CID 56665422) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine.

What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine?

The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine is c1ccc(Cc2nc(C(NCc3ccco3)C3CC3)oc2N2CCOCC2)cc1.

What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine?

The InChIKey is RPCPNCKAVKGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-5-17(6-3-1)15-20-23(26-10-13-27-14-11-26)29-22(25-20)21(18-8-9-18)24-16-19-7-4-12-28-19/h1-7,12,18,21,24H,8-11,13-16H2.

What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine?

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine has a molecular weight of 393.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 56665422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).