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

C87H164F3N19O4S2 — CID 158277822

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

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane (PubChem CID 158277822) has the molecular formula C87H164F3N19O4S2 and a molecular weight of 1661.53 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane
• PubChem CID: 158277822
• Molecular Formula: C87H164F3N19O4S2
• Molecular Weight: 1661.53 g/mol
• Exact Mass: 1660.26
• IUPAC Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn(CC(=O)O)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)n1cc(C(C)(C)C)cn1
• InChI: InChI=1S/C10H12F3N.C10H18N2.C9H14N2O2.C9H13N.C8H12N2.C7H11NS.2C6H10N2O.C6H10N2S.C5H10N4.11CH4/c1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-8(2)12-7-9(6-11-12)10(3,4)5;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;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4;;;;;;;;;;;/h4-6H,1-3H3;6-8H,1-5H3;4-5H,6H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*4H,1-3H3;1-3H3,(H,6,7,8,9);11*1H4
• InChIKey: GJVGYOFAEQICPX-UHFFFAOYSA-N
• XLogP: 26.08
• TPSA: 295.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 3
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.53
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane (CID 158277822) is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane.

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

The canonical SMILES for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane is C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn(CC(=O)O)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)n1cc(C(C)(C)C)cn1.

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

The InChIKey is GJVGYOFAEQICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C10H18N2.C9H14N2O2.C9H13N.C8H12N2.C7H11NS.2C6H10N2O.C6H10N2S.C5H10N4.11CH4/c1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-8(2)12-7-9(6-11-12)10(3,4)5;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;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4;;;;;;;;;;;/h4-6H,1-3H3;6-8H,1-5H3;4-5H,6H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*4H,1-3H3;1-3H3,(H,6,7,8,9);11*1H4.

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

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane has a molecular weight of 1661.53 g/mol, XLogP of 26.08, 3 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyrazine;2-(3-tert-butylpyrazol-1-yl)acetic acid;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 158277822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).