butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole

C86H138F3N11O8 — CID 163511179

About butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole

butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole (PubChem CID 163511179) has the molecular formula C86H138F3N11O8 and a molecular weight of 1511.11 g/mol. Its IUPAC name is butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole.

Molecular Properties

• Compound Name: butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole
• PubChem CID: 163511179
• Molecular Formula: C86H138F3N11O8
• Molecular Weight: 1511.11 g/mol
• Exact Mass: 1510.07
• IUPAC Name: butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole
• SMILES: CCCC(C)O.CCCCCO.CCCCO.CCCc1cccn1C.CCCc1ccco1.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccccc1F.CNCc1ccncn1
• InChI: InChI=1S/3C8H10FN.C8H13N.3C7H11NO.C7H10O.C6H9N3.C6H9NO.2C5H12O.C4H10O/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;1-2-4-7-5-3-6-8-7;1-7-4-6-2-3-8-5-9-6;1-2-3-6-4-7-5-8-6;1-3-4-5(2)6;1-2-3-4-5-6;1-2-3-4-5/h3*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;3,5-6H,2,4H2,1H3;2-3,5,7H,4H2,1H3;4-5H,2-3H2,1H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3
• InChIKey: DCVCQYPIPNAPLI-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 256.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1511.11
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole?

The IUPAC name of butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole (CID 163511179) is butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole.

What is the SMILES notation for butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole?

The canonical SMILES for butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole is CCCC(C)O.CCCCCO.CCCCO.CCCc1cccn1C.CCCc1ccco1.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccccc1F.CNCc1ccncn1.

What is the InChIKey of butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole?

The InChIKey is DCVCQYPIPNAPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10FN.C8H13N.3C7H11NO.C7H10O.C6H9N3.C6H9NO.2C5H12O.C4H10O/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;1-2-4-7-5-3-6-8-7;1-7-4-6-2-3-8-5-9-6;1-2-3-6-4-7-5-8-6;1-3-4-5(2)6;1-2-3-4-5-6;1-2-3-4-5/h3*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;3,5-6H,2,4H2,1H3;2-3,5,7H,4H2,1H3;4-5H,2-3H2,1H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3.

What are the key properties of butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole?

butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole has a molecular weight of 1511.11 g/mol, XLogP of 19.59, 27 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for butan-1-ol;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-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole is sourced from PubChem (CID 163511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).