benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine

C103H142N14O5 — CID 158269773

About benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine

benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine (PubChem CID 158269773) has the molecular formula C103H142N14O5 and a molecular weight of 1656.36 g/mol. Its IUPAC name is benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine.

Molecular Properties

• Compound Name: benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine
• PubChem CID: 158269773
• Molecular Formula: C103H142N14O5
• Molecular Weight: 1656.36 g/mol
• Exact Mass: 1655.13
• IUPAC Name: benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine
• SMILES: C=C(NCCN)c1ccc(C(C)(C)C)cc1.CC.CC(C)c1cc(-c2cccn2C)nc(-c2cncn2C)c1.CC(C)c1cccc(-c2cnc(CN)o2)c1.CC(C)c1cccc(-c2cnc(CNC(=O)OCc3ccccc3)o2)c1.CCCCCCC(=O)CCc1cccc(C(C)C)c1.CCCCCCNCc1cn(-c2cccc(C(C)C)c2)nn1
• InChI: InChI=1S/C21H22N2O3.C18H28N4.C18H28O.C17H20N4.C14H22N2.C13H16N2O.C2H6/c1-15(2)17-9-6-10-18(11-17)19-12-22-20(26-19)13-23-21(24)25-14-16-7-4-3-5-8-16;1-4-5-6-7-11-19-13-17-14-22(21-20-17)18-10-8-9-16(12-18)15(2)3;1-4-5-6-7-11-18(19)13-12-16-9-8-10-17(14-16)15(2)3;1-12(2)13-8-14(16-6-5-7-20(16)3)19-15(9-13)17-10-18-11-21(17)4;1-11(16-10-9-15)12-5-7-13(8-6-12)14(2,3)4;1-9(2)10-4-3-5-11(6-10)12-8-15-13(7-14)16-12;1-2/h3-12,15H,13-14H2,1-2H3,(H,23,24);8-10,12,14-15,19H,4-7,11,13H2,1-3H3;8-10,14-15H,4-7,11-13H2,1-3H3;5-12H,1-4H3;5-8,16H,1,9-10,15H2,2-4H3;3-6,8-9H,7,14H2,1-2H3;1-2H3
• InChIKey: GIWRDBFXOMJYRH-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 249.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.36
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine?

The IUPAC name of benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine (CID 158269773) is benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine.

What is the SMILES notation for benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine?

The canonical SMILES for benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine is C=C(NCCN)c1ccc(C(C)(C)C)cc1.CC.CC(C)c1cc(-c2cccn2C)nc(-c2cncn2C)c1.CC(C)c1cccc(-c2cnc(CN)o2)c1.CC(C)c1cccc(-c2cnc(CNC(=O)OCc3ccccc3)o2)c1.CCCCCCC(=O)CCc1cccc(C(C)C)c1.CCCCCCNCc1cn(-c2cccc(C(C)C)c2)nn1.

What is the InChIKey of benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine?

The InChIKey is GIWRDBFXOMJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C18H28N4.C18H28O.C17H20N4.C14H22N2.C13H16N2O.C2H6/c1-15(2)17-9-6-10-18(11-17)19-12-22-20(26-19)13-23-21(24)25-14-16-7-4-3-5-8-16;1-4-5-6-7-11-19-13-17-14-22(21-20-17)18-10-8-9-16(12-18)15(2)3;1-4-5-6-7-11-18(19)13-12-16-9-8-10-17(14-16)15(2)3;1-12(2)13-8-14(16-6-5-7-20(16)3)19-15(9-13)17-10-18-11-21(17)4;1-11(16-10-9-15)12-5-7-13(8-6-12)14(2,3)4;1-9(2)10-4-3-5-11(6-10)12-8-15-13(7-14)16-12;1-2/h3-12,15H,13-14H2,1-2H3,(H,23,24);8-10,12,14-15,19H,4-7,11,13H2,1-3H3;8-10,14-15H,4-7,11-13H2,1-3H3;5-12H,1-4H3;5-8,16H,1,9-10,15H2,2-4H3;3-6,8-9H,7,14H2,1-2H3;1-2H3.

What are the key properties of benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine?

benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine has a molecular weight of 1656.36 g/mol, XLogP of 24.30, 34 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine is sourced from PubChem (CID 158269773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).