5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

C108H176N20O3S3 — CID 157422271

About 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 157422271) has the molecular formula C108H176N20O3S3 and a molecular weight of 1898.93 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
• PubChem CID: 157422271
• Molecular Formula: C108H176N20O3S3
• Molecular Weight: 1898.93 g/mol
• Exact Mass: 1897.34
• IUPAC Name: 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
• SMILES: CC1=NC=C(C(C)(C)C)C1.CC1=NN=C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nccc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1
• InChI: InChI=1S/C10H15N.3C9H14N2.C9H15N.2C8H14N2.2C8H13NO.2C8H13NS.C7H12N2O.C7H12N2S/c1-8-6-5-7-9(11-8)10(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;2*1-5-8-6(10-9-5)7(2,3)4/h5-7H,1-4H3;3*5-6H,1-4H3;6H,5H2,1-4H3;5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3;2*1-4H3
• InChIKey: BPNXTEXCTDGUDE-UHFFFAOYSA-N
• XLogP: 29.86
• TPSA: 298.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.93
LogP ≤ 5	29.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The IUPAC name of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (CID 157422271) is 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

What is the SMILES notation for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The canonical SMILES for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is CC1=NC=C(C(C)(C)C)C1.CC1=NN=C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nccc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The InChIKey is BPNXTEXCTDGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.3C9H14N2.C9H15N.2C8H14N2.2C8H13NO.2C8H13NS.C7H12N2O.C7H12N2S/c1-8-6-5-7-9(11-8)10(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;2*1-5-8-6(10-9-5)7(2,3)4/h5-7H,1-4H3;3*5-6H,1-4H3;6H,5H2,1-4H3;5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3;2*1-4H3.

What are the key properties of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1898.93 g/mol, XLogP of 29.86, 0 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-4H-pyrazole;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 157422271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).