bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole

C83H121F3N18O5 — CID 157238579

About bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole

bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole (PubChem CID 157238579) has the molecular formula C83H121F3N18O5 and a molecular weight of 1508.00 g/mol. Its IUPAC name is bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole.

Molecular Properties

• Compound Name: bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
• PubChem CID: 157238579
• Molecular Formula: C83H121F3N18O5
• Molecular Weight: 1508.00 g/mol
• Exact Mass: 1506.97
• IUPAC Name: bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
• SMILES: CCCc1cccn1C.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CCCc1ncco1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccccc1F.CNCc1ccncn1.CNCc1cnccn1.CNCc1ncccn1
• InChI: InChI=1S/3C8H10FN.C8H13N.3C7H11NO.3C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;2*1-10-6-7-4-2-3-5-8(7)9;1-3-5-8-6-4-7-9(8)2;1-3-4-7-5-8-6(2)9-7;1-3-4-7-8-6(2)5-9-7;1-3-4-7-8-5-6(2)9-7;1-7-4-6-5-8-2-3-9-6;1-7-4-6-2-3-8-5-9-6;1-7-5-6-8-3-2-4-9-6;1-2-3-6-4-7-5-8-6;1-2-3-6-7-4-5-8-6/h3*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;2*2-3,5,7H,4H2,1H3;2-4,7H,5H2,1H3;2*4-5H,2-3H2,1H3
• InChIKey: AUXZNWJYAMPXDH-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 284.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1508.00
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole?

The IUPAC name of bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole (CID 157238579) is bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole.

What is the SMILES notation for bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole?

The canonical SMILES for bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole is CCCc1cccn1C.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CCCc1ncco1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccccc1F.CNCc1ccncn1.CNCc1cnccn1.CNCc1ncccn1.

What is the InChIKey of bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole?

The InChIKey is AUXZNWJYAMPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10FN.C8H13N.3C7H11NO.3C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;2*1-10-6-7-4-2-3-5-8(7)9;1-3-5-8-6-4-7-9(8)2;1-3-4-7-5-8-6(2)9-7;1-3-4-7-8-6(2)5-9-7;1-3-4-7-8-5-6(2)9-7;1-7-4-6-5-8-2-3-9-6;1-7-4-6-2-3-8-5-9-6;1-7-5-6-8-3-2-4-9-6;1-2-3-6-4-7-5-8-6;1-2-3-6-7-4-5-8-6/h3*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;2*2-3,5,7H,4H2,1H3;2-4,7H,5H2,1H3;2*4-5H,2-3H2,1H3.

What are the key properties of bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole?

bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole has a molecular weight of 1508.00 g/mol, XLogP of 16.26, 24 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole is sourced from PubChem (CID 157238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).