2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide

C25H41N3O5 — CID 58297315

About 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide

2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide (PubChem CID 58297315) has the molecular formula C25H41N3O5 and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
• PubChem CID: 58297315
• Molecular Formula: C25H41N3O5
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.30
• IUPAC Name: 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
• SMILES: CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(C2(COC3CCCCO3)CCCC2)no1
• InChI: InChI=1S/C25H41N3O5/c1-24(2,28(3)17-19-9-14-30-15-10-19)23(29)26-21-16-20(27-33-21)25(11-5-6-12-25)18-32-22-8-4-7-13-31-22/h16,19,22H,4-15,17-18H2,1-3H3,(H,26,29)
• InChIKey: ZXGBWJQYPSOYRD-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 86.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?

The IUPAC name of 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide (CID 58297315) is 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide.

What is the SMILES notation for 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?

The canonical SMILES for 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide is CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(C2(COC3CCCCO3)CCCC2)no1.

What is the InChIKey of 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?

The InChIKey is ZXGBWJQYPSOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O5/c1-24(2,28(3)17-19-9-14-30-15-10-19)23(29)26-21-16-20(27-33-21)25(11-5-6-12-25)18-32-22-8-4-7-13-31-22/h16,19,22H,4-15,17-18H2,1-3H3,(H,26,29).

What are the key properties of 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?

2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 463.62 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 58297315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).