7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole

C164H196N32O5S2 — CID 157061828

About 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole (PubChem CID 157061828) has the molecular formula C164H196N32O5S2 and a molecular weight of 2759.72 g/mol. Its IUPAC name is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
• PubChem CID: 157061828
• Molecular Formula: C164H196N32O5S2
• Molecular Weight: 2759.72 g/mol
• Exact Mass: 2757.55
• IUPAC Name: 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
• SMILES: CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cnc(-c2cccnc2)s1.CC(C)C1=NC2=CC=NC(=O)C2C=C1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(-n2cnnn2)cc1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1nc(-c2cccnc2)cs1.CC(C)c1nc2ccc(N)cc2[nH]1.CCn1c(C(C)C)cc2ccc(C#N)cc21.Cc1nccn1-c1ccc(C(C)C)cc1
• InChI: InChI=1S/C14H16N2.2C13H16N2.C13H17NO.C12H15N3.C12H14N2S.C12H15NO2.C12H13NO.C11H13N3.C11H12N2O.C11H12N2S.2C10H12N4.C10H13N3/c1-4-16-13(10(2)3)8-12-6-5-11(9-15)7-14(12)16;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14;1-8(2)11-13-10(7-14-11)9-4-3-5-12-6-9;1-8(2)9-3-5-10(6-4-9)14-7-11-12-13-14;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h5-8,10H,4H2,1-3H3;2*4-10H,1-3H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14);3-6H,11H2,1-2H3,(H,12,13)
• InChIKey: ABKMHPXUMAUWFP-UHFFFAOYSA-N
• XLogP: 38.58
• TPSA: 476.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2759.72
LogP ≤ 5	38.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole?

The IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole (CID 157061828) is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole.

What is the SMILES notation for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole?

The canonical SMILES for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole is CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cnc(-c2cccnc2)s1.CC(C)C1=NC2=CC=NC(=O)C2C=C1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(-n2cnnn2)cc1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1nc(-c2cccnc2)cs1.CC(C)c1nc2ccc(N)cc2[nH]1.CCn1c(C(C)C)cc2ccc(C#N)cc21.Cc1nccn1-c1ccc(C(C)C)cc1.

What is the InChIKey of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole?

The InChIKey is ABKMHPXUMAUWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2C13H16N2.C13H17NO.C12H15N3.C12H14N2S.C12H15NO2.C12H13NO.C11H13N3.C11H12N2O.C11H12N2S.2C10H12N4.C10H13N3/c1-4-16-13(10(2)3)8-12-6-5-11(9-15)7-14(12)16;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14;1-8(2)11-13-10(7-14-11)9-4-3-5-12-6-9;1-8(2)9-3-5-10(6-4-9)14-7-11-12-13-14;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h5-8,10H,4H2,1-3H3;2*4-10H,1-3H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14);3-6H,11H2,1-2H3,(H,12,13).

What are the key properties of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole?

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 2759.72 g/mol, XLogP of 38.58, 19 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 157061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).