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

C75H111F2N17O5 — CID 161001824

About 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

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 161001824) has the molecular formula C75H111F2N17O5 and a molecular weight of 1368.82 g/mol. Its IUPAC name is 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: 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: 161001824
• Molecular Formula: C75H111F2N17O5
• Molecular Weight: 1368.82 g/mol
• Exact Mass: 1367.89
• IUPAC Name: 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.CNCc1ccncn1.CNCc1cnccn1.CNCc1ncccn1
• InChI: InChI=1S/2C8H10FN.C8H13N.3C7H11NO.3C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;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/h2*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: TVZFMKXZTJQSII-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 272.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.82
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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 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 161001824) is 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 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 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.CNCc1ccncn1.CNCc1cnccn1.CNCc1ncccn1.

What is the InChIKey of 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 TVZFMKXZTJQSII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10FN.C8H13N.3C7H11NO.3C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;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/h2*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 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?

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 1368.82 g/mol, XLogP of 14.72, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 161001824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).