1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

C15H18N3O4+ — CID 8746882

About 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 8746882) has the molecular formula C15H18N3O4+ and a molecular weight of 304.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
• PubChem CID: 8746882
• Molecular Formula: C15H18N3O4+
• Molecular Weight: 304.33 g/mol
• Exact Mass: 304.13
• IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
• SMILES: Cc1cc(NC(=O)C[NH+](C)Cc2ccc3c(c2)OCO3)no1
• InChI: InChI=1S/C15H17N3O4/c1-10-5-14(17-22-10)16-15(19)8-18(2)7-11-3-4-12-13(6-11)21-9-20-12/h3-6H,7-9H2,1-2H3,(H,16,17,19)/p+1
• InChIKey: SJAPZVWJBPINAI-UHFFFAOYSA-O
• XLogP: 0.37
• TPSA: 78.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.33
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?

The IUPAC name of 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (CID 8746882) is 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.

What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?

The canonical SMILES for 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is Cc1cc(NC(=O)C[NH+](C)Cc2ccc3c(c2)OCO3)no1.

What is the InChIKey of 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?

The InChIKey is SJAPZVWJBPINAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3O4/c1-10-5-14(17-22-10)16-15(19)8-18(2)7-11-3-4-12-13(6-11)21-9-20-12/h3-6H,7-9H2,1-2H3,(H,16,17,19)/p+1.

What are the key properties of 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?

1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 304.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8746882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).