3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine

C165H260FN21O11S2 — CID 160506374

About 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine

3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine (PubChem CID 160506374) has the molecular formula C165H260FN21O11S2 and a molecular weight of 2797.16 g/mol. Its IUPAC name is 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

• Compound Name: 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
• PubChem CID: 160506374
• Molecular Formula: C165H260FN21O11S2
• Molecular Weight: 2797.16 g/mol
• Exact Mass: 2794.99
• IUPAC Name: 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
• SMILES: CC(C)(C)c1ccoc1.CC(C)(C)c1cnc(N2CCOCC2)s1.CC(C)(C)n1cccn1.CC(C)CCCN1CCOCC1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1ccccc1OCCN1CCOCC1.CN1CCC=C(C(C)(C)C)C1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C
• InChI: InChI=1S/C18H28N2O2.C16H25NO2.C15H23NO2.C13H20N2.C11H14N4.C11H17N3O.C11H18N2OS.C10H21NO.C10H19N.C9H15N.C9H12O.C9H14S.C8H10FN.C8H12O.C7H12N2/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-11(2,3)9-8-12-10(15-9)13-4-6-14-7-5-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2,3)9-6-5-7-11(4)8-9;1-9(2,3)8-6-5-7-10(8)4;1-7(2)8-3-5-9(10)6-4-8;1-7-5-10-6-8(7)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-6-4-5-8-9/h6-9,14H,10-13H2,1-5H3;4-7,14H,3,8-13H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3;6H,5,7-8H2,1-4H3;5-7H,1-4H3;3-7,10H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3
• InChIKey: QSLPVGPAWGNZSC-UHFFFAOYSA-N
• XLogP: 35.88
• TPSA: 283.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2797.16
LogP ≤ 5	35.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The IUPAC name of 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine (CID 160506374) is 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine.

What is the SMILES notation for 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The canonical SMILES for 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine is CC(C)(C)c1ccoc1.CC(C)(C)c1cnc(N2CCOCC2)s1.CC(C)(C)n1cccn1.CC(C)CCCN1CCOCC1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1ccccc1OCCN1CCOCC1.CN1CCC=C(C(C)(C)C)C1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C.

What is the InChIKey of 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The InChIKey is QSLPVGPAWGNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C16H25NO2.C15H23NO2.C13H20N2.C11H14N4.C11H17N3O.C11H18N2OS.C10H21NO.C10H19N.C9H15N.C9H12O.C9H14S.C8H10FN.C8H12O.C7H12N2/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-11(2,3)9-8-12-10(15-9)13-4-6-14-7-5-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2,3)9-6-5-7-11(4)8-9;1-9(2,3)8-6-5-7-10(8)4;1-7(2)8-3-5-9(10)6-4-8;1-7-5-10-6-8(7)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-6-4-5-8-9/h6-9,14H,10-13H2,1-5H3;4-7,14H,3,8-13H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3;6H,5,7-8H2,1-4H3;5-7H,1-4H3;3-7,10H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3.

What are the key properties of 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 2797.16 g/mol, XLogP of 35.88, 27 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 160506374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).