1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

C16H20BrN3O — CID 154841822

About 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 154841822) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
• PubChem CID: 154841822
• Molecular Formula: C16H20BrN3O
• Molecular Weight: 350.26 g/mol
• Exact Mass: 349.08
• IUPAC Name: 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
• SMILES: Cc1cc(CNCC2CCN(c3cccc(Br)c3)C2)no1
• InChI: InChI=1S/C16H20BrN3O/c1-12-7-15(19-21-12)10-18-9-13-5-6-20(11-13)16-4-2-3-14(17)8-16/h2-4,7-8,13,18H,5-6,9-11H2,1H3
• InChIKey: WNQADQREJSPBNL-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.26
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The IUPAC name of 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 154841822) is 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

What is the SMILES notation for 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The canonical SMILES for 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CNCC2CCN(c3cccc(Br)c3)C2)no1.

What is the InChIKey of 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The InChIKey is WNQADQREJSPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-12-7-15(19-21-12)10-18-9-13-5-6-20(11-13)16-4-2-3-14(17)8-16/h2-4,7-8,13,18H,5-6,9-11H2,1H3.

What are the key properties of 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 350.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 154841822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).