5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane

C80H133N17O4S2 — CID 158888215

About 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane

5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 158888215) has the molecular formula C80H133N17O4S2 and a molecular weight of 1461.19 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
• PubChem CID: 158888215
• Molecular Formula: C80H133N17O4S2
• Molecular Weight: 1461.19 g/mol
• Exact Mass: 1460.02
• IUPAC Name: 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
• SMILES: C.C.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn(CC(=O)O)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nncs1.CC(C)n1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1
• InChI: InChI=1S/C10H18N2.C10H15N.C9H14N2O2.C9H13N.C8H12N2.C7H11NO.C7H11NS.C6H11N3.C6H10N2O.C6H10N2S.2CH4/c1-8(2)12-7-9(6-11-12)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-4-5-11(10-7)6-8(12)13;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;;/h6-8H,1-5H3;5-7H,1-4H3;4-5H,6H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1H4
• InChIKey: JDWVWZNUBCEWIN-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 269.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 3
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.19
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The IUPAC name of 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane (CID 158888215) is 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane.

What is the SMILES notation for 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The canonical SMILES for 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane is C.C.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn(CC(=O)O)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nncs1.CC(C)n1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.

What is the InChIKey of 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The InChIKey is JDWVWZNUBCEWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C10H15N.C9H14N2O2.C9H13N.C8H12N2.C7H11NO.C7H11NS.C6H11N3.C6H10N2O.C6H10N2S.2CH4/c1-8(2)12-7-9(6-11-12)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-4-5-11(10-7)6-8(12)13;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;;/h6-8H,1-5H3;5-7H,1-4H3;4-5H,6H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1H4.

What are the key properties of 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?

5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 1461.19 g/mol, XLogP of 20.86, 3 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-methylpyridine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158888215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).