N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole

C114H162N20O12P2S — CID 159786385

About N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole

N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 159786385) has the molecular formula C114H162N20O12P2S and a molecular weight of 2098.69 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
• PubChem CID: 159786385
• Molecular Formula: C114H162N20O12P2S
• Molecular Weight: 2098.69 g/mol
• Exact Mass: 2097.19
• IUPAC Name: N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1cnc(C(=O)N2CCCC2)o1.CC(C)(C)c1coc(-n2ccnc2)n1.CC(C)(C)c1nc(-c2cccc(P(C)(C)=O)c2)no1.CC(C)(C)c1nc(CN)co1.CC(C)(C)c1ncc(NCc2ccccc2)o1.CC(C)(C)c1nnc(CCc2ccccc2)o1.CC(C)(C)c1nnc(CN2CCC(N)CC2)o1.CC(C)(C)c1nnc(CSc2ccccc2)o1.CCP(=O)(CC)c1cccc(-c2ncc(C(C)(C)C)o2)c1
• InChI: InChI=1S/C17H24NO2P.C14H19N2O2P.2C14H18N2O.C13H16N2OS.C12H22N4O.C12H18N2O2.C10H13N3O.C8H14N2O/c1-6-21(19,7-2)14-10-8-9-13(11-14)16-18-12-15(20-16)17(3,4)5;1-14(2,3)13-15-12(16-18-13)10-7-6-8-11(9-10)19(4,5)17;1-14(2,3)13-16-10-12(17-13)15-9-11-7-5-4-6-8-11;1-14(2,3)13-16-15-12(17-13)10-9-11-7-5-4-6-8-11;1-13(2,3)12-15-14-11(16-12)9-17-10-7-5-4-6-8-10;1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16;1-12(2,3)9-8-13-10(16-9)11(15)14-6-4-5-7-14;1-10(2,3)8-6-14-9(12-8)13-5-4-11-7-13;1-8(2,3)7-10-6(4-9)5-11-7/h8-12H,6-7H2,1-5H3;6-9H,1-5H3;4-8,10,15H,9H2,1-3H3;4-8H,9-10H2,1-3H3;4-8H,9H2,1-3H3;9H,4-8,13H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;5H,4,9H2,1-3H3
• InChIKey: NHZPRLNDBNIRLF-UHFFFAOYSA-N
• XLogP: 25.43
• TPSA: 425.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.69
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole?

The IUPAC name of N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole (CID 159786385) is N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole.

What is the SMILES notation for N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole?

The canonical SMILES for N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole is CC(C)(C)c1cnc(C(=O)N2CCCC2)o1.CC(C)(C)c1coc(-n2ccnc2)n1.CC(C)(C)c1nc(-c2cccc(P(C)(C)=O)c2)no1.CC(C)(C)c1nc(CN)co1.CC(C)(C)c1ncc(NCc2ccccc2)o1.CC(C)(C)c1nnc(CCc2ccccc2)o1.CC(C)(C)c1nnc(CN2CCC(N)CC2)o1.CC(C)(C)c1nnc(CSc2ccccc2)o1.CCP(=O)(CC)c1cccc(-c2ncc(C(C)(C)C)o2)c1.

What is the InChIKey of N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole?

The InChIKey is NHZPRLNDBNIRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO2P.C14H19N2O2P.2C14H18N2O.C13H16N2OS.C12H22N4O.C12H18N2O2.C10H13N3O.C8H14N2O/c1-6-21(19,7-2)14-10-8-9-13(11-14)16-18-12-15(20-16)17(3,4)5;1-14(2,3)13-15-12(16-18-13)10-7-6-8-11(9-10)19(4,5)17;1-14(2,3)13-16-10-12(17-13)15-9-11-7-5-4-6-8-11;1-14(2,3)13-16-15-12(17-13)10-9-11-7-5-4-6-8-11;1-13(2,3)12-15-14-11(16-12)9-17-10-7-5-4-6-8-10;1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16;1-12(2,3)9-8-13-10(16-9)11(15)14-6-4-5-7-14;1-10(2,3)8-6-14-9(12-8)13-5-4-11-7-13;1-8(2,3)7-10-6(4-9)5-11-7/h8-12H,6-7H2,1-5H3;6-9H,1-5H3;4-8,10,15H,9H2,1-3H3;4-8H,9-10H2,1-3H3;4-8H,9H2,1-3H3;9H,4-8,13H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;5H,4,9H2,1-3H3.

What are the key properties of N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole?

N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 2098.69 g/mol, XLogP of 25.43, 20 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;5-tert-butyl-3-(3-dimethylphosphorylphenyl)-1,2,4-oxadiazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-(2-phenylethyl)-1,3,4-oxadiazole;2-tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 159786385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).