2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene

C145H186N24O3S4 — CID 159468968

About 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene

2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene (PubChem CID 159468968) has the molecular formula C145H186N24O3S4 and a molecular weight of 2441.52 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene
• PubChem CID: 159468968
• Molecular Formula: C145H186N24O3S4
• Molecular Weight: 2441.52 g/mol
• Exact Mass: 2439.40
• IUPAC Name: 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene
• SMILES: C=CCC(C)C.C=Cc1cnc(C(C)C)nc1.CC(=O)C(C)C.CC(C)C#Cc1ccccc1.CC(C)C#Cc1ncccn1.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ccccn1.CC(C)c1ccsc1.CC(C)c1nc(-c2ccccc2)ns1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(-c2ncccn2)s1.CC(C)c1ncccn1.CC(C)c1nnc(Cc2ccccc2)o1.Cc1cnc(C(C)C)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
• InChI: InChI=1S/C12H13N3.2C12H14N2O.C11H12N2S.C11H12.C10H11N3S.C10H11NS.C9H10N2.C9H12N2.2C8H12N2.C8H11N.C7H10N2.C7H10S.C6H12.C5H10O/c1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-9(2)12-14-13-11(15-12)8-10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)10-13-6-8(14-10)9-11-4-3-5-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)4-5-9-10-6-3-7-11-9;1-4-8-5-10-9(7(2)3)11-6-8;2*1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-4-5-6(2)3;1-4(2)5(3)6/h3-9H,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3,6-8H,1-2H3;4-7H,1H2,2-3H3;2*4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3
• InChIKey: LVNXWXGUQXEMJV-UHFFFAOYSA-N
• XLogP: 38.45
• TPSA: 352.71 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2441.52
LogP ≤ 5	38.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene?

The IUPAC name of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene (CID 159468968) is 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene.

What is the SMILES notation for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene?

The canonical SMILES for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene is C=CCC(C)C.C=Cc1cnc(C(C)C)nc1.CC(=O)C(C)C.CC(C)C#Cc1ccccc1.CC(C)C#Cc1ncccn1.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ccccn1.CC(C)c1ccsc1.CC(C)c1nc(-c2ccccc2)ns1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(-c2ncccn2)s1.CC(C)c1ncccn1.CC(C)c1nnc(Cc2ccccc2)o1.Cc1cnc(C(C)C)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.

What is the InChIKey of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene?

The InChIKey is LVNXWXGUQXEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.2C12H14N2O.C11H12N2S.C11H12.C10H11N3S.C10H11NS.C9H10N2.C9H12N2.2C8H12N2.C8H11N.C7H10N2.C7H10S.C6H12.C5H10O/c1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-9(2)12-14-13-11(15-12)8-10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)10-13-6-8(14-10)9-11-4-3-5-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)4-5-9-10-6-3-7-11-9;1-4-8-5-10-9(7(2)3)11-6-8;2*1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-4-5-6(2)3;1-4(2)5(3)6/h3-9H,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3,6-8H,1-2H3;4-7H,1H2,2-3H3;2*4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3.

What are the key properties of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene?

2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene has a molecular weight of 2441.52 g/mol, XLogP of 38.45, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 159468968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).