methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

C196H322N48O5S7 — CID 161268395

About methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (PubChem CID 161268395) has the molecular formula C196H322N48O5S7 and a molecular weight of 3655.53 g/mol. Its IUPAC name is methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.

Molecular Properties

• Compound Name: methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
• PubChem CID: 161268395
• Molecular Formula: C196H322N48O5S7
• Molecular Weight: 3655.53 g/mol
• Exact Mass: 3652.45
• IUPAC Name: methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
• SMILES: C.CC(C)C1=NC=CC1.CC(C)C1=NC=CC1.CC(C)C1=NC=CC1.CC(C)C1=NC=NC1.CC(C)C1=NC=NC1.CC(C)C1=NC=NC1.CC(C)C1=NN=CC1.CC(C)C1=NN=CC1.CC(C)c1ccon1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)n1.CC(C)c1cscn1.CC1=CCC(C(C)C)=N1.CC1=CCC(C(C)C)=N1.CC1=CCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1ncc(C(C)C)[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/3C8H13N.4C7H12N2.C7H11NO.2C7H11NS.3C7H11N.C6H11N3.2C6H10N2O.2C6H10N2S.6C6H10N2.2C6H9NO.3C6H9NS.C5H9N3.CH4/c3*1-6(2)8-5-4-7(3)9-8;4*1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;4*1-5(2)6-3-7-4-8-6;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5;/h3*4,6H,5H2,1-3H3;3*5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3*3,5-6H,4H2,1-2H3;4-5H,1-3H3;4*4H,1-3H3;3*4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);2*4-5H,3H2,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
• InChIKey: VDMKKLMUANZWKJ-UHFFFAOYSA-N
• XLogP: 54.51
• TPSA: 673.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 57
• Rotatable Bonds: 30
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3655.53
LogP ≤ 5	54.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?

The IUPAC name of methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (CID 161268395) is methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.

What is the SMILES notation for methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?

The canonical SMILES for methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is C.CC(C)C1=NC=CC1.CC(C)C1=NC=CC1.CC(C)C1=NC=CC1.CC(C)C1=NC=NC1.CC(C)C1=NC=NC1.CC(C)C1=NC=NC1.CC(C)C1=NN=CC1.CC(C)C1=NN=CC1.CC(C)c1ccon1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)n1.CC(C)c1cscn1.CC1=CCC(C(C)C)=N1.CC1=CCC(C(C)C)=N1.CC1=CCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.CC1=NCC(C(C)C)=N1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)ns1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1ncc(C(C)C)[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?

The InChIKey is VDMKKLMUANZWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H13N.4C7H12N2.C7H11NO.2C7H11NS.3C7H11N.C6H11N3.2C6H10N2O.2C6H10N2S.6C6H10N2.2C6H9NO.3C6H9NS.C5H9N3.CH4/c3*1-6(2)8-5-4-7(3)9-8;4*1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;4*1-5(2)6-3-7-4-8-6;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5;/h3*4,6H,5H2,1-3H3;3*5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3*3,5-6H,4H2,1-2H3;4-5H,1-3H3;4*4H,1-3H3;3*4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);2*4-5H,3H2,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4.

What are the key properties of methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?

methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole has a molecular weight of 3655.53 g/mol, XLogP of 54.51, 30 rotatable bonds, 3 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-5-propan-2-yl-1H-imidazole;tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 161268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).