5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene

C147H238F5N29O8S — CID 159318111

About 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene

5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene (PubChem CID 159318111) has the molecular formula C147H238F5N29O8S and a molecular weight of 2666.77 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene
• PubChem CID: 159318111
• Molecular Formula: C147H238F5N29O8S
• Molecular Weight: 2666.77 g/mol
• Exact Mass: 2664.87
• IUPAC Name: 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene
• SMILES: CC(C)(C)c1cnn(Cc2ccccn2)c1.CC(C)(C)c1nc(C2CC2)no1.CC(C)c1cc(CC(C)(F)F)no1.CC(C)c1cc(CC(C)(F)F)no1.CC(C)c1cn(C)cn1.CC(F)c1noc(C(C)(C)C)n1.CCc1cc(C(C)(C)C)on1.CCc1cc(C(C)(C)C)on1.CCn1cc(C(C)(C)C)nn1.CCn1ncc(C(C)(C)C)n1.Cc1c(C(C)(C)C)ccn1C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C)n(C(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncn(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1
• InChI: InChI=1S/C13H17N3.C10H17N.C10H15N.2C9H13F2NO.C9H14N2O.2C9H15NO.C8H13FN2O.2C8H15N3.C8H14N2.C8H13NO.C8H12S.C7H13N3.C7H12N2O.C7H12N2/c1-13(2,3)11-8-15-16(9-11)10-12-6-4-5-7-14-12;1-8-9(10(2,3)4)6-7-11(8)5;1-8-7-9(5-6-11-8)10(2,3)4;2*1-6(2)8-4-7(12-13-8)5-9(3,10)11;1-9(2,3)8-10-7(11-12-8)6-4-5-6;2*1-5-7-6-8(11-10-7)9(2,3)4;1-5(9)6-10-7(12-11-6)8(2,3)4;1-5-11-6-7(9-10-11)8(2,3)4;1-5-11-9-6-7(10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6(2)8-4-7(3)5-9-8;1-6-8-5-10(9-6)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-6(2)7-4-9(3)5-8-7/h4-9H,10H2,1-3H3;6-7H,1-5H3;5-7H,1-4H3;2*4,6H,5H2,1-3H3;6H,4-5H2,1-3H3;2*6H,5H2,1-4H3;5H,1-4H3;2*6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3;5H,1-4H3;1-4H3;4-6H,1-3H3
• InChIKey: LDKGWXAYMNWYKJ-UHFFFAOYSA-N
• XLogP: 38.94
• TPSA: 423.21 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2666.77
LogP ≤ 5	38.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene?

The IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene (CID 159318111) is 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene.

What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene?

The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene is CC(C)(C)c1cnn(Cc2ccccn2)c1.CC(C)(C)c1nc(C2CC2)no1.CC(C)c1cc(CC(C)(F)F)no1.CC(C)c1cc(CC(C)(F)F)no1.CC(C)c1cn(C)cn1.CC(F)c1noc(C(C)(C)C)n1.CCc1cc(C(C)(C)C)on1.CCc1cc(C(C)(C)C)on1.CCn1cc(C(C)(C)C)nn1.CCn1ncc(C(C)(C)C)n1.Cc1c(C(C)(C)C)ccn1C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C)n(C(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncn(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.

What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene?

The InChIKey is LDKGWXAYMNWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C10H17N.C10H15N.2C9H13F2NO.C9H14N2O.2C9H15NO.C8H13FN2O.2C8H15N3.C8H14N2.C8H13NO.C8H12S.C7H13N3.C7H12N2O.C7H12N2/c1-13(2,3)11-8-15-16(9-11)10-12-6-4-5-7-14-12;1-8-9(10(2,3)4)6-7-11(8)5;1-8-7-9(5-6-11-8)10(2,3)4;2*1-6(2)8-4-7(12-13-8)5-9(3,10)11;1-9(2,3)8-10-7(11-12-8)6-4-5-6;2*1-5-7-6-8(11-10-7)9(2,3)4;1-5(9)6-10-7(12-11-6)8(2,3)4;1-5-11-6-7(9-10-11)8(2,3)4;1-5-11-9-6-7(10-11)8(2,3)4;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6(2)8-4-7(3)5-9-8;1-6-8-5-10(9-6)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-6(2)7-4-9(3)5-8-7/h4-9H,10H2,1-3H3;6-7H,1-5H3;5-7H,1-4H3;2*4,6H,5H2,1-3H3;6H,4-5H2,1-3H3;2*6H,5H2,1-4H3;5H,1-4H3;2*6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3;5H,1-4H3;1-4H3;4-6H,1-3H3.

What are the key properties of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene?

5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene has a molecular weight of 2666.77 g/mol, XLogP of 38.94, 17 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene is sourced from PubChem (CID 159318111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).