N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide

C27H27N3O3 — CID 55591167

About N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide (PubChem CID 55591167) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
• PubChem CID: 55591167
• Molecular Formula: C27H27N3O3
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.21
• IUPAC Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
• SMILES: Cc1oc(-c2ccccc2)nc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1
• InChI: InChI=1S/C27H27N3O3/c1-19-25(29-27(33-19)22-6-3-2-4-7-22)18-30(17-24-8-5-15-32-24)16-20-9-11-21(12-10-20)26(31)28-23-13-14-23/h2-12,15,23H,13-14,16-18H2,1H3,(H,28,31)
• InChIKey: WFUUTUARCOZTSU-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide (CID 55591167) is N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide.

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

The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide is Cc1oc(-c2ccccc2)nc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1.

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

The InChIKey is WFUUTUARCOZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-25(29-27(33-19)22-6-3-2-4-7-22)18-30(17-24-8-5-15-32-24)16-20-9-11-21(12-10-20)26(31)28-23-13-14-23/h2-12,15,23H,13-14,16-18H2,1H3,(H,28,31).

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

N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 55591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).