3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole

C95H124N8O4S2 — CID 160766845

About 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole

3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole (PubChem CID 160766845) has the molecular formula C95H124N8O4S2 and a molecular weight of 1506.22 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole
• PubChem CID: 160766845
• Molecular Formula: C95H124N8O4S2
• Molecular Weight: 1506.22 g/mol
• Exact Mass: 1504.92
• IUPAC Name: 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole
• SMILES: C=C(OC(C)(C)C)N1CCC(c2cccc(C(C)C)c2)C1.CC(=O)CN1CCC(c2cccc(C(C)C)c2)C1.CC(C)c1cc(C#CCN)cc(-c2ccco2)c1.CC(C)c1ccc(C#CCN)c(-c2cnco2)c1.CC(C)c1cccc(C2CCNC2)c1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1
• InChI: InChI=1S/C19H29NO.C16H23NO.C16H17NO.C15H16N2O.C13H19N.C10H11NS.C6H9NS/c1-14(2)16-8-7-9-17(12-16)18-10-11-20(13-18)15(3)21-19(4,5)6;1-12(2)14-5-4-6-15(9-14)16-7-8-17(11-16)10-13(3)18;1-12(2)14-9-13(5-3-7-17)10-15(11-14)16-6-4-8-18-16;1-11(2)13-6-5-12(4-3-7-16)14(8-13)15-9-17-10-18-15;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6/h7-9,12,14,18H,3,10-11,13H2,1-2,4-6H3;4-6,9,12,16H,7-8,10-11H2,1-3H3;4,6,8-12H,7,17H2,1-2H3;5-6,8-11H,7,16H2,1-2H3;3-5,8,10,13-14H,6-7,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3
• InChIKey: RYUDUKUOUBIGAA-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 161.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.22
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole (CID 160766845) is 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole is C=C(OC(C)(C)C)N1CCC(c2cccc(C(C)C)c2)C1.CC(=O)CN1CCC(c2cccc(C(C)C)c2)C1.CC(C)c1cc(C#CCN)cc(-c2ccco2)c1.CC(C)c1ccc(C#CCN)c(-c2cnco2)c1.CC(C)c1cccc(C2CCNC2)c1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.

What is the InChIKey of 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole?

The InChIKey is RYUDUKUOUBIGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.C16H23NO.C16H17NO.C15H16N2O.C13H19N.C10H11NS.C6H9NS/c1-14(2)16-8-7-9-17(12-16)18-10-11-20(13-18)15(3)21-19(4,5)6;1-12(2)14-5-4-6-15(9-14)16-7-8-17(11-16)10-13(3)18;1-12(2)14-9-13(5-3-7-17)10-15(11-14)16-6-4-8-18-16;1-11(2)13-6-5-12(4-3-7-16)14(8-13)15-9-17-10-18-15;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6/h7-9,12,14,18H,3,10-11,13H2,1-2,4-6H3;4-6,9,12,16H,7-8,10-11H2,1-3H3;4,6,8-12H,7,17H2,1-2H3;5-6,8-11H,7,16H2,1-2H3;3-5,8,10,13-14H,6-7,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3.

What are the key properties of 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole?

3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole has a molecular weight of 1506.22 g/mol, XLogP of 22.80, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-2-yl)-5-propan-2-ylphenyl]prop-2-yn-1-amine;1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3-(3-propan-2-ylphenyl)pyrrolidine;3-[2-(1,3-oxazol-5-yl)-4-propan-2-ylphenyl]prop-2-yn-1-amine;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyrrolidine;1-[3-(3-propan-2-ylphenyl)pyrrolidin-1-yl]propan-2-one;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160766845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).