5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole

C61H72ClN9O2S — CID 160672935

About 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole

5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole (PubChem CID 160672935) has the molecular formula C61H72ClN9O2S and a molecular weight of 1030.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole
• PubChem CID: 160672935
• Molecular Formula: C61H72ClN9O2S
• Molecular Weight: 1030.83 g/mol
• Exact Mass: 1029.52
• IUPAC Name: 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole
• SMILES: C.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2cccnc2)no1.CC(C)c1ncc(-c2ccccc2Cl)s1.Cc1ccc(-c2cn(C(C)C)nn2)cc1.Cc1ccc(-c2cnc(C(C)C)[nH]2)cc1
• InChI: InChI=1S/C13H16N2.C12H12ClNS.C12H15N3.C12H13NO.C11H12N2O.CH4/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)9-5-3-4-6-10(9)13;1-9(2)15-8-12(13-14-15)11-6-4-10(3)5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-6-10(13-14-11)9-4-3-5-12-7-9;/h4-9H,1-3H3,(H,14,15);3-8H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;1H4
• InChIKey: RNDWTFIGBKVBTH-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 137.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.83
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?

The IUPAC name of 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole (CID 160672935) is 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole.

What is the SMILES notation for 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?

The canonical SMILES for 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole is C.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2cccnc2)no1.CC(C)c1ncc(-c2ccccc2Cl)s1.Cc1ccc(-c2cn(C(C)C)nn2)cc1.Cc1ccc(-c2cnc(C(C)C)[nH]2)cc1.

What is the InChIKey of 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?

The InChIKey is RNDWTFIGBKVBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H12ClNS.C12H15N3.C12H13NO.C11H12N2O.CH4/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)9-5-3-4-6-10(9)13;1-9(2)15-8-12(13-14-15)11-6-4-10(3)5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-6-10(13-14-11)9-4-3-5-12-7-9;/h4-9H,1-3H3,(H,14,15);3-8H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;1H4.

What are the key properties of 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?

5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 1030.83 g/mol, XLogP of 17.89, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;methane;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 160672935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).